MiMeDB: Showing metabocard for Genistein (MMDBc0000420)

Not Available

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2020-12-10 18:37:21 UTC

Update Date

2024-09-27 19:47:36 UTC

Metabolite ID

MMDBc0000420

Metabolite Identification

Common Name

Genistein

Description

Genistein is one of several known isoflavones. Isoflavones compounds, such as genistein and daidzein, are found in a number of plants, but soybeans and soy products like tofu and textured vegetable protein are the primary food source. Genistein is a natural bioactive compound derived from legumes and has drawn because of its potentially beneficial effects on some human degenerative diseases. It has a weak estrogenic effect and is a well-known non-specific tyrosine kinase inhibitor at pharmacological doses. Epidemiological studies show that genistein intake is inversely associated with the risk of cardiovascular diseases. Data suggests a protective role of genistein in cardiovascular events. However, the mechanisms of the genistein action on vascular protective effects are unclear. Past extensive studies exploring its hypolipidemic effect resulted in contradictory data. Genistein also is a relatively poor antioxidant. However, genistein protects against pro-inflammatory factor-induced vascular endothelial barrier dysfunction and inhibits leukocyte-endothelium interaction, thereby modulating vascular inflammation, a major event in the pathogenesis of atherosclerosis. Genistein exerts a non-genomic action by targeting on important signaling molecules in vascular endothelial cells (ECs). Genistein rapidly activates endothelial nitric oxide synthase and production of nitric oxide in ECs. This genistein effect is novel since it is independent of its known effects, but mediated by the cyclic adenosine monophosphate/protein kinase A (cAMP/PKA) cascade. Genistein directly stimulates the plasma membrane-associated adenylate cyclases, leading to activation of the cAMP signaling pathway. In addition, genistein activates peroxisome proliferator-activated receptors, ligand-activated nuclear receptors important to normal vascular function. Furthermore, genistein reduces reactive oxygen species (ROS) by attenuating the expression of ROS-producing enzymes. These findings reveal the roles for genistein in the regulation of vascular function and provide a basis for further investigating its therapeutic potential for inflammatory-related vascular disease. (PMID:17979711 ). Genistein is a biomarker for the consumption of soy beans and other soy products.

Structure

MOL 3D MOL SDF 3D SDF PDB 3D PDB SMILES InChI

HMDB0003217
     RDKit          3D
Genistein
 30 32  0  0  0  0  0  0  0  0999 V2000
   -0.0402   -1.7344    0.0988 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4884   -0.5720    0.0844 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4118    0.4719    0.0688 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8683    0.2154    0.0691 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4155   -0.7219    0.9198 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7751   -0.9613    0.9201 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6443   -0.2898    0.0863 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0152   -0.5470    0.1026 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0963    0.6475   -0.7641 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7360    0.8881   -0.7655 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0793    1.7546    0.0530 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3599    1.9821    0.0527 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2615    1.0396    0.0670 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6135    1.3311    0.0661 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5309    0.3239    0.0812 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8789    0.6524    0.0798 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1725   -0.9936    0.0978 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7918   -1.2864    0.0987 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4650   -2.6002    0.1153 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8355   -0.2968    0.0837 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7623   -1.2660    1.5863 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2385   -1.7008    1.5856 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6498   -0.0267    0.7208 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7848    1.1720   -1.4171 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3059    1.6283   -1.4377 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6548    2.5717    0.0407 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8951    2.3796    0.0529 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4368    0.7773   -0.7336 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8902   -1.8049    0.1100 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6189   -3.0337    0.1192 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
  3 11  2  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 15 17  2  0
 17 18  1  0
 18 19  1  0
 18 20  2  0
 20  2  1  0
 10  4  1  0
 20 13  1  0
  5 21  1  0
  6 22  1  0
  8 23  1  0
  9 24  1  0
 10 25  1  0
 11 26  1  0
 14 27  1  0
 16 28  1  0
 17 29  1  0
 19 30  1  0
M  END

Genistein
  Mrv1652305201900042D          

 20 22  0  0  0  0            999 V2000
    4.5012   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7867   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7867   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0723   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3578   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3578   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0723   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6433   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6433   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9289    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2144   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5001    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2146   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9290    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2146   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5001   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5001   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2144   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9289   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  2  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 11 18  1  0  0  0  0
 18 19  1  0  0  0  0
  8 19  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
> <DATABASE_ID>
MMDBc0000420

> <DATABASE_NAME>
MIME

> <SMILES>
OC1=CC=C(C=C1)C1=COC2=CC(O)=CC(O)=C2C1=O

> <INCHI_IDENTIFIER>
InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-7,16-18H

> <INCHI_KEY>
TZBJGXHYKVUXJN-UHFFFAOYSA-N

> <FORMULA>
C15H10O5

> <MOLECULAR_WEIGHT>
270.24

> <EXACT_MASS>
270.052823422

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
30

> <JCHEM_AVERAGE_POLARIZABILITY>
26.58861830751393

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
5,7-dihydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one

> <ALOGPS_LOGP>
3.04

> <JCHEM_LOGP>
3.076872389666666

> <ALOGPS_LOGS>
-3.34

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
8.088397479737148

> <JCHEM_PKA_STRONGEST_ACIDIC>
6.5462698153602235

> <JCHEM_PKA_STRONGEST_BASIC>
-5.345613136233476

> <JCHEM_POLAR_SURFACE_AREA>
86.99000000000001

> <JCHEM_REFRACTIVITY>
71.68290000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.23e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
genistein

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0003217
     RDKit          3D
Genistein
 30 32  0  0  0  0  0  0  0  0999 V2000
   -0.0402   -1.7344    0.0988 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4884   -0.5720    0.0844 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4118    0.4719    0.0688 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8683    0.2154    0.0691 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4155   -0.7219    0.9198 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7751   -0.9613    0.9201 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6443   -0.2898    0.0863 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0152   -0.5470    0.1026 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0963    0.6475   -0.7641 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7360    0.8881   -0.7655 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0793    1.7546    0.0530 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3599    1.9821    0.0527 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2615    1.0396    0.0670 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6135    1.3311    0.0661 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5309    0.3239    0.0812 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8789    0.6524    0.0798 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1725   -0.9936    0.0978 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7918   -1.2864    0.0987 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4650   -2.6002    0.1153 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8355   -0.2968    0.0837 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7623   -1.2660    1.5863 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2385   -1.7008    1.5856 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6498   -0.0267    0.7208 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7848    1.1720   -1.4171 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3059    1.6283   -1.4377 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6548    2.5717    0.0407 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8951    2.3796    0.0529 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4368    0.7773   -0.7336 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8902   -1.8049    0.1100 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6189   -3.0337    0.1192 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
  3 11  2  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 15 17  2  0
 17 18  1  0
 18 19  1  0
 18 20  2  0
 20  2  1  0
 10  4  1  0
 20 13  1  0
  5 21  1  0
  6 22  1  0
  8 23  1  0
  9 24  1  0
 10 25  1  0
 11 26  1  0
 14 27  1  0
 16 28  1  0
 17 29  1  0
 19 30  1  0
M  END

HEADER    PROTEIN                                 20-MAY-19   NONE
TITLE     NULL                                                        
COMPND    MOLECULE: Genistein                                         
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   20-MAY-19         0                                  
HETATM    1  O   UNK     0       8.402  -5.390   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0       7.069  -4.620   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       7.069  -3.080   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       5.735  -2.310   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       4.401  -3.080   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       4.401  -4.620   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       5.735  -5.390   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       3.067  -2.310   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       3.067  -0.770   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0       1.734   0.000   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0       0.400  -0.770   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -0.934   0.000   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -2.267  -0.770   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0      -3.601   0.000   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0      -2.267  -2.310   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -0.934  -3.080   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0      -0.934  -4.620   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0       0.400  -2.310   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       1.734  -3.080   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0       1.734  -4.620   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3    7                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6    8                                                  
CONECT    6    5    7                                                       
CONECT    7    6    2                                                       
CONECT    8    5    9   19                                                  
CONECT    9    8   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12   18                                                  
CONECT   12   11   13                                                       
CONECT   13   12   14   15                                                  
CONECT   14   13                                                            
CONECT   15   13   16                                                       
CONECT   16   15   17   18                                                  
CONECT   17   16                                                            
CONECT   18   16   11   19                                                  
CONECT   19   18    8   20                                                  
CONECT   20   19                                                            
MASTER        0    0    0    0    0    0    0    0   20    0   44    0
END

COMPND    HMDB0003217
HETATM    1  O1  UNL     1      -0.040  -1.734   0.099  1.00  0.00           O  
HETATM    2  C1  UNL     1      -0.488  -0.572   0.084  1.00  0.00           C  
HETATM    3  C2  UNL     1       0.412   0.472   0.069  1.00  0.00           C  
HETATM    4  C3  UNL     1       1.868   0.215   0.069  1.00  0.00           C  
HETATM    5  C4  UNL     1       2.415  -0.722   0.920  1.00  0.00           C  
HETATM    6  C5  UNL     1       3.775  -0.961   0.920  1.00  0.00           C  
HETATM    7  C6  UNL     1       4.644  -0.290   0.086  1.00  0.00           C  
HETATM    8  O2  UNL     1       6.015  -0.547   0.103  1.00  0.00           O  
HETATM    9  C7  UNL     1       4.096   0.647  -0.764  1.00  0.00           C  
HETATM   10  C8  UNL     1       2.736   0.888  -0.766  1.00  0.00           C  
HETATM   11  C9  UNL     1      -0.079   1.755   0.053  1.00  0.00           C  
HETATM   12  O3  UNL     1      -1.360   1.982   0.053  1.00  0.00           O  
HETATM   13  C10 UNL     1      -2.262   1.040   0.067  1.00  0.00           C  
HETATM   14  C11 UNL     1      -3.614   1.331   0.066  1.00  0.00           C  
HETATM   15  C12 UNL     1      -4.531   0.324   0.081  1.00  0.00           C  
HETATM   16  O4  UNL     1      -5.879   0.652   0.080  1.00  0.00           O  
HETATM   17  C13 UNL     1      -4.172  -0.994   0.098  1.00  0.00           C  
HETATM   18  C14 UNL     1      -2.792  -1.286   0.099  1.00  0.00           C  
HETATM   19  O5  UNL     1      -2.465  -2.600   0.115  1.00  0.00           O  
HETATM   20  C15 UNL     1      -1.835  -0.297   0.084  1.00  0.00           C  
HETATM   21  H1  UNL     1       1.762  -1.266   1.586  1.00  0.00           H  
HETATM   22  H2  UNL     1       4.239  -1.701   1.586  1.00  0.00           H  
HETATM   23  H3  UNL     1       6.650  -0.027   0.721  1.00  0.00           H  
HETATM   24  H4  UNL     1       4.785   1.172  -1.417  1.00  0.00           H  
HETATM   25  H5  UNL     1       2.306   1.628  -1.438  1.00  0.00           H  
HETATM   26  H6  UNL     1       0.655   2.572   0.041  1.00  0.00           H  
HETATM   27  H7  UNL     1      -3.895   2.380   0.053  1.00  0.00           H  
HETATM   28  H8  UNL     1      -6.437   0.777  -0.734  1.00  0.00           H  
HETATM   29  H9  UNL     1      -4.890  -1.805   0.110  1.00  0.00           H  
HETATM   30  H10 UNL     1      -1.619  -3.034   0.119  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3   20
CONECT    3    4   11   11
CONECT    4    5    5   10
CONECT    5    6   21
CONECT    6    7    7   22
CONECT    7    8    9
CONECT    8   23
CONECT    9   10   10   24
CONECT   10   25
CONECT   11   12   26
CONECT   12   13
CONECT   13   14   14   20
CONECT   14   15   27
CONECT   15   16   17   17
CONECT   16   28
CONECT   17   18   29
CONECT   18   19   20   20
CONECT   19   30
END

HMDB0003217
     RDKit          3D
Genistein
 30 32  0  0  0  0  0  0  0  0999 V2000
   -0.0402   -1.7344    0.0988 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4884   -0.5720    0.0844 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4118    0.4719    0.0688 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8683    0.2154    0.0691 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4155   -0.7219    0.9198 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7751   -0.9613    0.9201 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6443   -0.2898    0.0863 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0152   -0.5470    0.1026 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0963    0.6475   -0.7641 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7360    0.8881   -0.7655 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0793    1.7546    0.0530 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3599    1.9821    0.0527 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2615    1.0396    0.0670 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6135    1.3311    0.0661 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5309    0.3239    0.0812 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8789    0.6524    0.0798 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1725   -0.9936    0.0978 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7918   -1.2864    0.0987 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4650   -2.6002    0.1153 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8355   -0.2968    0.0837 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7623   -1.2660    1.5863 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2385   -1.7008    1.5856 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6498   -0.0267    0.7208 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7848    1.1720   -1.4171 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3059    1.6283   -1.4377 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6548    2.5717    0.0407 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8951    2.3796    0.0529 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4368    0.7773   -0.7336 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8902   -1.8049    0.1100 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6189   -3.0337    0.1192 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
  3 11  2  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 15 17  2  0
 17 18  1  0
 18 19  1  0
 18 20  2  0
 20  2  1  0
 10  4  1  0
 20 13  1  0
  5 21  1  0
  6 22  1  0
  8 23  1  0
  9 24  1  0
 10 25  1  0
 11 26  1  0
 14 27  1  0
 16 28  1  0
 17 29  1  0
 19 30  1  0
M  END

Synonyms

Value	Source
4',5,7-Trihydroxyisoflavone	ChEBI
5,7,4'-Trihydroxyisoflavone	ChEBI
5,7-Dihydroxy-3-(4-hydroxyphenyl)-4H-1-benzopyran-4-one	ChEBI
Prunetol	ChEBI
Sophoricol	ChEBI
4',5, 7-Trihydroxyisoflavone	HMDB
4',5,7-Trihydroxy-isoflavone	HMDB
4,5,7-Trihydroxy iso-flavone	HMDB
Genistein 85% HPLC	HMDB
Genisteol	HMDB
Genisterin	HMDB
Genestein	HMDB

Molecular Formula

C₁₅H₁₀O₅

Average Mass

270.24

Monoisotopic Mass

270.052823422

IUPAC Name

5,7-dihydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one

Traditional Name

genistein

CAS Registry Number

Not Available

SMILES

OC1=CC=C(C=C1)C1=COC2=CC(O)=CC(O)=C2C1=O

InChI Identifier

InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-7,16-18H

InChI Key

TZBJGXHYKVUXJN-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as isoflavones. These are polycyclic compounds containing a 2-isoflavene skeleton which bears a ketone group at the C4 carbon atom.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Isoflavonoids

Sub Class

Isoflav-2-enes

Direct Parent

Isoflavones

Alternative Parents

Substituents

Hydroxyisoflavonoid
Isoflavone
Chromone
Benzopyran
1-benzopyran
1-hydroxy-4-unsubstituted benzenoid
1-hydroxy-2-unsubstituted benzenoid
Pyranone
Phenol
Monocyclic benzene moiety
Benzenoid
Pyran
Heteroaromatic compound
Vinylogous acid
Oxacycle
Organoheterocyclic compound
Organic oxygen compound
Organooxygen compound
Hydrocarbon derivative
Organic oxide
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

7-hydroxyisoflavones (CHEBI:28088 )
isoflavones (C06563 )
Isoflavonoids (C06563 )
Isoflavonoids (LMPK12050218 )

Functional Ontology

Not Available

Physical Properties

State

Expected Solid

Predicted Properties

Property	Value	Source
Water Solubility	0.12 g/L	ALOGPS
logP	3.04	ALOGPS
logP	3.08	ChemAxon
logS	-3.3	ALOGPS
pKa (Strongest Acidic)	6.55	ChemAxon
pKa (Strongest Basic)	-5.3	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	5	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	86.99 Å²	ChemAxon
Rotatable Bond Count	1	ChemAxon
Refractivity	71.68 m³·mol⁻¹	ChemAxon
Polarizability	26.59 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
GC-MS	GC-MS Spectrum - GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (Non-derivatized)	splash10-00di-0321900000-1dd6fcaf99898bd949df	2014-06-16	View Spectrum
GC-MS	GC-MS Spectrum - GC-EI-TOF (Non-derivatized)	splash10-00di-0321900000-1dd6fcaf99898bd949df	2017-09-12	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	splash10-0006-0490000000-2922d094b504ca63625f	2017-07-27	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (3 TMS) - 70eV, Positive	splash10-00di-3232900000-5532bb09d0ee2a1c2b07	2017-10-06	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-APPI-QQ (API2000) , Positive	splash10-014l-9600000000-04b546320e268d817276	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-APPI-QQ (API2000) , Positive	splash10-00kf-5910000000-7e265d1b4640f882195a	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-APPI-QQ (API2000) , Positive	splash10-0v4m-1960000000-7843ec8ae23314f88147	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-APPI-QQ (API2000) , Positive	splash10-00di-0290000000-52ec910b223a3688fbc0	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-APPI-QQ (API2000) , Positive	splash10-00di-0190000000-4045f471e10774927fb0	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-APPI-QQ (API2000) , Positive	splash10-00di-0090000000-b593f863241cb83cbaa8	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-APPI-QQ (API2000) , Positive	splash10-00di-0190000000-0cd8d123608bd54f7214	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QTOF (UPLC Q-Tof Premier, Waters) 5V, Positive	splash10-00di-0090000000-9ce354d07dc39313259b	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QTOF (UPLC Q-Tof Premier, Waters) , Negative	splash10-001i-0910000000-5eb75a138568fa4ac897	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QTOF (UPLC Q-Tof Premier, Waters) , Positive	splash10-0fr6-2920000000-a32f6ae97952bb96de05	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QTOF (UPLC Q-Tof Premier, Waters) , Positive	splash10-00di-0290000000-4592d557e739a114cbfa	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-ITTOF (LCMS-IT-TOF) , Positive	splash10-00di-0090000000-14ae481944ad1a1f7ca0	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-ITTOF (LCMS-IT-TOF) , Negative	splash10-014i-0090030000-a3400b0a77da6983528f	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - ESI-TOF , Negative	splash10-014i-0090000000-6db4d2441911d696b121	2017-08-14	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - ESI-TOF 20V, Negative	splash10-014i-0090000000-6db4d2441911d696b121	2017-08-14	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - ESI-TOF 50V, Negative	splash10-001i-0900000000-ad50062f85b9c32e1426	2017-08-14	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - ESI-TOF 40V, Negative	splash10-001i-0910000000-6a694e60823635f66757	2017-08-14	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - ESI-TOF , Negative	splash10-014i-0090000000-720c4e1f43db9f50b589	2017-09-12	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - ESI-TOF 20V, Negative	splash10-014i-0090000000-0e3ca66534f635efb4d8	2017-09-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-00di-0090000000-3ca72bf3c489e8b06845	2017-06-28	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-00di-0090000000-664850196c63c1380b4e	2017-06-28	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-0udi-5790000000-f3cf7e73e69ebaba0989	2017-06-28	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-014i-0090000000-aa4506f67fa71b5e6f4e	2017-06-28	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-014i-0090000000-f1f0ad0b45f461f988db	2017-06-28	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-0gb9-3960000000-16725698ad6eee8f88dc	2017-06-28	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, CD₃OD, experimental)		2012-12-05	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, Methanol, experimental)		2021-10-10	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, Methanol, experimental)		2021-10-10	View Spectrum
2D NMR	[¹H, ¹³C]-HSQC NMR Spectrum (2D, 600 MHz, CD₃OD, experimental)		2012-12-05	View Spectrum

Biological Properties

Cellular Locations

Membrane

Biospecimen Locations

Adipose Tissue
Adrenal Gland
Blood
Epidermis
Feces
Fibroblasts
Intestine
Liver
Neuron
Placenta
Platelet
Prostate
Skeletal Muscle
Testis
Urine

Tissue Locations

Adipose Tissue
Adrenal Gland
Epidermis
Fibroblasts
Intestine
Liver
Neuron
Placenta
Platelet
Prostate
Skeletal Muscle
Testis

Associated OMIM IDs

114500 (Colorectal cancer)
610247 (Eosinophilic esophagitis)

Human Proteins and Enzymes

Protein ID	Protein Name	Protein Type	Uniprot ID	Species
MMDBp0191713	Nuclear receptor coactivator 1	Enzyme	Q15788	Homo sapiens
MMDBp0191749	Dehydrogenase/reductase SDR family member 4	Enzyme	Q9BTZ2	Homo sapiens
MMDBp0192112	Estrogen receptor beta	Enzyme	Q92731	Homo sapiens
MMDBp0192140	UDP-glucuronosyltransferase 1-1	Enzyme	P22309	Homo sapiens
MMDBp0192992	Protein-tyrosine kinase 2-beta	Unknown	Q14289	Homo sapiens
MMDBp0193115	Cytochrome P450 1A2	Unknown	P05177	Homo sapiens
MMDBp0193300	Multidrug resistance-associated protein 1	Transporter	P33527	Homo sapiens
MMDBp0193411	Estrogen receptor	Enzyme	P03372	Homo sapiens
MMDBp0193419	Multidrug resistance protein 1	Transporter	P08183	Homo sapiens
MMDBp0193475	ATP-binding cassette sub-family G member 2	Transporter	Q9UNQ0	Homo sapiens
MMDBp0196283	DNA topoisomerase 2-alpha	Enzyme	P11388	Homo sapiens
MMDBp0197061	Sulfotransferase 1A3	Enzyme	P0DMM9	Homo sapiens

Human Pathways

Pathways

Name	SMPDB/PathBank

Metabolic Reactions

Reactions

Reaction ID	Precursor	Product	Enzyme	Reaction Type	Data Source	Reference

Health Effects and Bioactivity

Health Outcome/Bioactivity	Metabolite Response/Effect	Evidence Type	Host and Biospecimen	Data Source	Reference
Ileostomy	Increased	Association	Human Urine	HMDB	17413104

Microbial Sources

Superkingdom/Kingdom	Phylum	Total species	Hosts and Body Sites	Microbial Links
Bacteria	Firmicutes	1		Indirect association between microbiota composition and metabolites measured in host biospecimen

Exposure Sources

Source Type	Source Sub-type	Species	Data Source	Reference
Animal		Cattle	FooDB	34893796
Animal		Haliotis	FooDB	Manually Annotated
Animal		Strombidae	FooDB	Manually Annotated
Animal	Milk	Bos taurus	FooDB	18565930
Animal	Milk	Bos taurus	FooDB	18565930
Animal	Milk	Bos taurus	FooDB	18565930
Animal	Milk	Bos taurus	FooDB	18565930
Animal	Milk	Bos taurus	FooDB	9718497
Animal		Clupea harengus harengus	FooDB	Manually Annotated
Animal		Undaria pinnatifida	FooDB	Manually Annotated
Animal		Peprilus triacanthus	FooDB	Manually Annotated
Animal		Rhodophyta	FooDB	Manually Annotated
Animal		Myoxocephalus	FooDB	Manually Annotated
Animal	Egg	Gallus gallus	FooDB	34893796
Animal		Eucheuma	FooDB	Manually Annotated
Animal	Milk	Bos taurus	FooDB	12811748
Animal		Saccharina japonica	FooDB	Manually Annotated
Animal		Spirulina	FooDB	Manually Annotated
Animal		Lota lota	FooDB	Manually Annotated
Animal		Porphyra umbilicalis	FooDB	Manually Annotated
Animal		Cattle	FooDB	34893796
Animal		Chondrus crispus	FooDB	Manually Annotated
Animal		Thunnus	FooDB	34893796
Animal		Thunnus alalunga	FooDB	34893796
Animal		Laminaria	FooDB	Manually Annotated
Food			FooDB	Phenol Explorer
Plant		Capsicum pubescens	FooDB	Manually Annotated
Plant		Carya illinoinensis	FooDB	Manually Annotated
Plant		Phaseolus coccineus	FooDB	34893796
Plant		Phaseolus coccineus	FooDB	34893796
Plant		Crateva religiosa	FooDB	Manually Annotated
Plant		Vitis aestivalis	FooDB	Manually Annotated
Plant		Eugenia javanica	FooDB	Manually Annotated
Plant		Mentha arvensis	FooDB	Manually Annotated
Plant		Cucumis sativus	FooDB	Manually Annotated
Plant			FooDB	Manually Annotated
Plant		Vaccinium stamineum	FooDB	Manually Annotated
Plant		Brassica rapa var. chinensis	FooDB	Manually Annotated
Plant		Cinnamomum aromaticum	FooDB	Manually Annotated
Plant		Lupinus albus	FooDB	34893796
Plant		Ribes rubrum	FooDB	Manually Annotated
Plant		Psophocarpus tetragonolobus	FooDB	Manually Annotated
Plant		Ipomoea batatas	FooDB	Manually Annotated
Plant		Solanum lycopersicum var. cerasiforme	FooDB	Manually Annotated
Plant		Portulaca oleracea	FooDB	Manually Annotated
Plant		Chenopodium album	FooDB	Manually Annotated
Plant		Pastinaca sativa	FooDB	Manually Annotated
Plant		Allium ampeloprasum	FooDB	Manually Annotated
Plant		Cucurbita maxima	FooDB	Manually Annotated
Plant		Grataegosorbus mitschurinii	FooDB	Manually Annotated
Plant		Sechium edule	FooDB	Manually Annotated
Plant		Brassica oleracea	FooDB	Manually Annotated
Plant		Diospyros virginiana	FooDB	Manually Annotated
Plant		Origanum x majoricum	FooDB	Manually Annotated
Plant		Lactuca sativa l. var. longifolia	FooDB	Manually Annotated
Plant		Lablab purpureus	FooDB	24285751
Plant		Castanea sativa	FooDB	34893796
Plant		Rumex	FooDB	Manually Annotated
Plant		Rubus x loganobaccus	FooDB	Manually Annotated
Plant		Tragopogon porrifolius	FooDB	Manually Annotated
Plant		Allium ascalonicum	FooDB	Manually Annotated
Plant		Citrullus lanatus var. fistulosus	FooDB	Manually Annotated
Plant		Taraxacum officinale	FooDB	Manually Annotated
Plant		Rubus chamaemorus	FooDB	Manually Annotated
Plant		Amelanchier alnifolia	FooDB	Manually Annotated
Plant		Eugenia uniflora	FooDB	Manually Annotated
Plant		Curcuma longa	FooDB	Manually Annotated
Plant		Annona reticulata	FooDB	Manually Annotated
Plant		Sesbania bispinosa	FooDB	Manually Annotated
Plant		Elettaria cardamomum	FooDB	Manually Annotated
Plant		Ananas comosus	FooDB	Manually Annotated
Plant		Persea americana	FooDB	Manually Annotated
Plant		Ribes x nidigrolaria	FooDB	Manually Annotated
Plant		Garcinia mangostana	FooDB	Manually Annotated
Plant		Lathyrus sativus	FooDB	Manually Annotated
Plant		Dioscorea pentaphylla	FooDB	Manually Annotated
Plant		Olea europaea	FooDB	34893796
Plant		Allium tuberosum	FooDB	Manually Annotated
Plant		Brassica oleracea var. botrytis	FooDB	Manually Annotated
Plant		Cichorium intybus	FooDB	Manually Annotated
Plant		Cocos nucifera	FooDB	34893796
Plant		Corchorus olitorius	FooDB	Manually Annotated
Plant		Chenopodium quinoa	FooDB	Manually Annotated
Plant		Cucumis melo	FooDB	Manually Annotated
Plant		Juglans nigra	FooDB	Manually Annotated
Plant		Gaylussacia baccata	FooDB	Manually Annotated
Plant		Petasites japonicus	FooDB	Manually Annotated
Plant		Prunus tomentosa	FooDB	Manually Annotated
Plant		Maranta arundinacea	FooDB	Manually Annotated
Plant		Mentha x piperita	FooDB	Manually Annotated
Plant		Cinnamomum verum	FooDB	Manually Annotated
Plant		Solanum tuberosum	FooDB	34893796
Plant		Matteuccia struthiopteris	FooDB	Manually Annotated
Plant		Cucurbita moschata	FooDB	Manually Annotated
Plant		Prunus dulcis	FooDB	34893796
Plant	Seed meal	Helianthus annuus	FooDB	Phenol Explorer
Plant		Vaccinium myrtilloides	FooDB	Manually Annotated
Plant		Ocimum basilicum	FooDB	Manually Annotated
Plant		Macadamia	FooDB	Manually Annotated
Plant		Tilia	FooDB	Manually Annotated
Plant		Nelumbo	FooDB	Manually Annotated
Plant		Papaver	FooDB	Manually Annotated
Plant		Rosa	FooDB	Manually Annotated
Plant		Brassica oleracea var. conica	FooDB	Manually Annotated
Plant		Citrus limon	FooDB	Manually Annotated
Plant		Apium graveolens var. rapaceum	FooDB	Manually Annotated
Plant		Capsicum annuum var. annuum	FooDB	Manually Annotated
Plant		Lippia graveolens	FooDB	Manually Annotated
Plant		Vigna radiata	FooDB	24285751
Plant		Annona cherimola	FooDB	Manually Annotated
Plant		Sesamum orientale	FooDB	Manually Annotated
Plant		Brassica rapa var. pekinensis	FooDB	Manually Annotated
Plant		Brassica rapa	FooDB	Manually Annotated
Plant		Capparis spinosa	FooDB	Manually Annotated
Plant		Allium sativum	FooDB	34893796
Plant		Arachis hypogaea	FooDB	34893796
Plant		Arachis hypogaea	FooDB	34893796
Plant	Seed	Vigna radiata	FooDB	34893796
Plant		Arachis hypogaea	FooDB	34893796
Plant	Seed	Vigna radiata	FooDB	34893796
Plant		Arachis hypogaea	FooDB	34893796
Plant	Seed	Vigna radiata	FooDB	34893796
Plant		Vaccinium deliciosum	FooDB	Manually Annotated
Plant		Citrus sinensis	FooDB	Manually Annotated
Plant		Artocarpus heterophyllus	FooDB	Manually Annotated
Plant		Prunus virginiana	FooDB	Manually Annotated
Plant		Passiflora edulis	FooDB	34893796
Plant		Musa acuminata	FooDB	Manually Annotated
Plant		Macadamia tetraphylla	FooDB	Manually Annotated
Plant	Nut	Arachis hypogaea	FooDB	Phenol Explorer
Plant		Citrullus lanatus	FooDB	Manually Annotated
Plant		Lagenaria siceraria	FooDB	Manually Annotated
Plant		Linum usitatissimum	FooDB	Manually Annotated
Plant		Carissa macrocarpa	FooDB	Manually Annotated
Plant		Corylus	FooDB	34893796
Plant		Phyllostachys edulis	FooDB	Manually Annotated
Plant		Satureja hortensis	FooDB	Manually Annotated
Plant		Averrhoa carambola	FooDB	Manually Annotated
Plant		Prunus domestica	FooDB	Manually Annotated
Plant		Prunus armeniaca	FooDB	Manually Annotated
Plant		Sorbus aucuparia	FooDB	Manually Annotated
Plant	Seed	Vigna angularis	FooDB	24285751
Plant		Carum carvi	FooDB	Manually Annotated
Plant		Allium schoenoprasum	FooDB	Manually Annotated
Plant		Citrus reticulata	FooDB	Manually Annotated
Plant		Brassica oleracea var. costata	FooDB	Manually Annotated
Plant		Panax	FooDB	Manually Annotated
Plant		Nelumbo nucifera	FooDB	Manually Annotated
Plant	Seed	Vigna angularis	FooDB	34893796
Plant	Leaves	Phaseolus lunatus	FooDB	DUKE
Plant		Brassica rapa var. rapa	FooDB	Manually Annotated
Plant		Bertholletia excelsa	FooDB	Manually Annotated
Plant		Cymbopogon citratus	FooDB	Manually Annotated
Plant		Ceratonia siliqua	FooDB	Manually Annotated
Plant		Anethum graveolens	FooDB	Manually Annotated
Plant		Coriandrum sativum	FooDB	Manually Annotated
Plant		Luffa aegyptiaca	FooDB	Manually Annotated
Plant	Tea		FooDB	34893796
Plant		Vigna umbellata	FooDB	Manually Annotated
Plant	Tea		FooDB	34893796
Plant		Rubus occidentalis	FooDB	Manually Annotated
Plant	Root	Cajanus cajan	FooDB	DUKE
Plant		Allium fistulosum	FooDB	Manually Annotated
Plant		Capsicum	FooDB	Manually Annotated
Plant		Carthamus tinctorius	FooDB	Manually Annotated
Plant		Tilia cordata	FooDB	Manually Annotated
Plant		Vaccinium alaskaense	FooDB	Manually Annotated
Plant		Lupinus	FooDB	Manually Annotated
Plant	Fruit	Prunus cerasus	FooDB	DUKE
Plant		Ribes nigrum	FooDB	34893796
Plant		Pisum sativum	FooDB	34893796
Plant		Anacardium occidentale	FooDB	Manually Annotated
Plant	Fruit	Phaseolus vulgaris	FooDB	DUKE
Plant		Pisum sativum	FooDB	34893796
Plant		Durio zibethinus	FooDB	Manually Annotated
Plant		Prunus persica var. nucipersica	FooDB	Manually Annotated
Plant		Medicago sativa	FooDB	24285751
Plant		Eriobotrya japonica	FooDB	Manually Annotated
Plant		Ribes glandulosum	FooDB	Manually Annotated
Plant		Brassica napus var. pabularia	FooDB	Manually Annotated
Plant	Seed	Trigonella foenum-graecum	FooDB	DUKE
Plant		Verbena officinalis	FooDB	Manually Annotated
Plant		Diospyros kaki	FooDB	Manually Annotated
Plant		Oenothera biennis	FooDB	Manually Annotated
Plant		Vaccinium oxycoccos	FooDB	Manually Annotated
Plant		Medicago sativa	FooDB	34893796
Plant		Virola surinamensis	FooDB	Manually Annotated
Plant		Camellia sinensis	FooDB	Manually Annotated
Plant	Tea		FooDB	34893796
Plant		Rumex acetosa	FooDB	Manually Annotated
Plant		Theobroma cacao	FooDB	Manually Annotated
Plant	Tea		FooDB	34893796
Plant		Citrus x paradisi	FooDB	34893796
Plant		Solanum lycopersicum var. lycopersicum	FooDB	Manually Annotated
Plant		Aloysia triphylla	FooDB	Manually Annotated
Plant	Testa	Glycine max	FooDB	DUKE
Plant		Vaccinium parvifolium	FooDB	Manually Annotated
Plant		Capsicum chinense	FooDB	Manually Annotated
Plant		Pyrus pyrifolia	FooDB	Manually Annotated
Plant		Brassica oleracea var. capitata	FooDB	Manually Annotated
Plant	Seed	Pisum sativum	FooDB	DUKE
Plant		Vaccinium reticulatum	FooDB	Manually Annotated
Plant		Solanum quitoense	FooDB	Manually Annotated
Plant		Vaccinium myrtillus	FooDB	Manually Annotated
Plant		Daucus carota ssp. sativus	FooDB	Manually Annotated
Plant		Theobroma grandiflorum	FooDB	Manually Annotated
Plant		Glycine max	FooDB	Phenol Explorer
Plant		Syzygium aromaticum	FooDB	Manually Annotated
Plant		Glycine max	FooDB	Phenol Explorer
Plant		Ginkgo biloba	FooDB	Manually Annotated
Plant		Cajanus cajan	FooDB	24285751
Plant	Seed	Cicer arietinum	FooDB	DUKE
Plant		Vigna unguiculata ssp. cylindrica	FooDB	Manually Annotated
Plant			FooDB	Manually Annotated
Plant		Flammulina velutipes	FooDB	Manually Annotated
Plant		Satureja montana	FooDB	Manually Annotated
Plant		Perideridia oregana	FooDB	Manually Annotated
Plant		Citrus japonica	FooDB	Manually Annotated
Plant		Vaccinium macrocarpon	FooDB	34893796
Plant		Cajanus cajan	FooDB	34893796
Plant		Vigna mungo	FooDB	24285751
Plant		Vaccinium arboreum	FooDB	Manually Annotated
Plant		Wasabia japonica	FooDB	Manually Annotated
Plant		Origanum onites	FooDB	Manually Annotated
Plant	Sprout	Glycine max	FooDB	Phenol Explorer
Plant		Pouteria sapota	FooDB	Manually Annotated
Plant	Sprout	Glycine max	FooDB	Phenol Explorer
Plant	Seed	Vigna mungo	FooDB	34893796
Plant		Piper nigrum	FooDB	Manually Annotated
Plant		Viburnum edule	FooDB	Manually Annotated
Plant		Vitis vinifera	FooDB	Manually Annotated
Plant		Origanum vulgare	FooDB	Manually Annotated
Plant		Capsicum annuum	FooDB	Manually Annotated
Plant		Dioscorea	FooDB	Manually Annotated
Plant		Vaccinium uliginosum	FooDB	Manually Annotated
Plant		Momordica charantia	FooDB	Manually Annotated
Plant		Rubus ursinus x idaeus	FooDB	Manually Annotated
Plant		Castanea	FooDB	Manually Annotated
Plant	Tea		FooDB	34893796
Plant		Cirsium	FooDB	Manually Annotated
Plant		Raphanus sativus var. sativus	FooDB	Manually Annotated
Plant		Pleurotus ostreatus	FooDB	Manually Annotated
Plant		Opuntia	FooDB	Manually Annotated
Plant	Tea		FooDB	34893796
Plant		Brassica oleracea var. italica	FooDB	Manually Annotated
Plant		Phoenix dactylifera	FooDB	34893796
Plant		Colocasia esculenta	FooDB	Manually Annotated
Plant		Prunus persica var. persica	FooDB	Manually Annotated
Plant		Anthriscus cerefolium	FooDB	Manually Annotated
Plant		Solanum melongena	FooDB	Manually Annotated
Plant		Juglans regia	FooDB	34893796
Plant		Nuphar lutea	FooDB	Manually Annotated
Plant		Pachyrhizus erosus	FooDB	Manually Annotated
Plant		Cichorium endivia	FooDB	Manually Annotated
Plant		Myristica fragrans	FooDB	Manually Annotated
Plant		Elaeis	FooDB	Manually Annotated
Plant		Dysphania ambrosioides	FooDB	Manually Annotated
Plant		Raphanus sativus var. niger	FooDB	Manually Annotated
Plant		Cinnamomum	FooDB	Manually Annotated
Plant		Photinia melanocarpa	FooDB	Manually Annotated
Plant		Ribes uva-crispa	FooDB	Manually Annotated
Plant		Feijoa sellowiana	FooDB	Manually Annotated
Plant		Vaccinium	FooDB	Manually Annotated
Plant		Apium graveolens	FooDB	Manually Annotated
Plant		Trigonella foenum-graecum	FooDB	34893796
Plant		Rheum rhabarbarum	FooDB	Manually Annotated
Plant		Crocus sativus	FooDB	Manually Annotated
Plant		Syzygium jambos	FooDB	Manually Annotated
Plant		Salix pulchra	FooDB	Manually Annotated
Plant		Citrus maxima	FooDB	Manually Annotated
Plant		Fagus	FooDB	Manually Annotated
Plant		Salvia officinalis	FooDB	Manually Annotated
Plant		Castanea sativa	FooDB	Manually Annotated
Plant		Cydonia oblonga	FooDB	Manually Annotated
Plant		Pistacia vera	FooDB	34893796
Plant		Opuntia cochenillifera	FooDB	Manually Annotated
Plant		Annona muricata	FooDB	Manually Annotated
Plant		Vaccinium ovatum	FooDB	Manually Annotated
Plant		Thymus pulegioides	FooDB	Manually Annotated
Plant	Shoot	Asparagus officinalis	FooDB	34893796
Plant		Cucurbita	FooDB	Manually Annotated
Plant		Mespilus germanica	FooDB	Manually Annotated
Plant		Cocos nucifera	FooDB	Manually Annotated
Plant		Glycine max	FooDB	Phenol Explorer
Plant		Tamarindus indica	FooDB	Manually Annotated
Plant		Brassica rapa var. perviridis	FooDB	Manually Annotated
Plant	Flour	Glycine max	FooDB	Phenol Explorer
Plant	Flour	Glycine max	FooDB	Phenol Explorer
Plant		Mentha aquatica	FooDB	Manually Annotated
Plant		Salvia elegans	FooDB	Manually Annotated
Plant		Mentha	FooDB	Manually Annotated
Plant		Cucurbita pepo var. cylindrica	FooDB	Manually Annotated
Plant		Sagittaria latifolia	FooDB	Manually Annotated
Plant		Ipomoea batatas	FooDB	34893796
Plant		Sambucus	FooDB	Manually Annotated
Plant		Syzygium cumini	FooDB	Manually Annotated
Plant		Glycine max	FooDB	Phenol Explorer
Plant		Psidium guajava	FooDB	Manually Annotated
Plant		Glycine max	FooDB	Phenol Explorer
Plant	Seed	Vigna unguiculata ssp. unguiculata	FooDB	DUKE
Plant		Typha angustifolia	FooDB	Manually Annotated
Plant		Pinus	FooDB	Manually Annotated
Plant		Tilia tomentosa	FooDB	Manually Annotated
Plant		Empetrum nigrum	FooDB	Manually Annotated
Plant		Olea europaea	FooDB	Manually Annotated
Plant		Myrica rubra	FooDB	Manually Annotated
Plant		Valerianella locusta	FooDB	Manually Annotated
Plant		Vaccinium angustifolium x vaccinium corymbosum	FooDB	Manually Annotated
Plant		Sisymbrium	FooDB	Manually Annotated
Plant		Vaccinium vitis-idaea	FooDB	Manually Annotated
Plant		Solanum tuberosum	FooDB	Manually Annotated
Plant		Vanilla	FooDB	Manually Annotated
Plant		Daucus carota	FooDB	Manually Annotated
Plant		Carya	FooDB	Manually Annotated
Plant	Bean	Phaseolus vulgaris	FooDB	Phenol Explorer
Plant		Physalis philadelphica var. immaculata	FooDB	Manually Annotated
Plant		Borago officinalis	FooDB	Manually Annotated
Plant		Hyssopus officinalis	FooDB	Manually Annotated
Plant		Manihot esculenta	FooDB	Manually Annotated
Plant		Raphanus sativus	FooDB	Manually Annotated
Plant		Scorzonera hispanica	FooDB	Manually Annotated
Plant		Vigna unguiculata ssp. sesquipedalis	FooDB	Manually Annotated
Plant		Angelica keiskei	FooDB	Manually Annotated
Plant		Brassica oleracea l. var. capitata l. f. alba dc.	FooDB	Manually Annotated
Plant		Prunus dulcis	FooDB	Manually Annotated
Plant		Beta vulgaris ssp. cicla	FooDB	Manually Annotated
Plant		Ipomoea aquatica	FooDB	Manually Annotated
Plant		Rubus spectabilis	FooDB	Manually Annotated
Plant		Musa x paradisiaca	FooDB	Manually Annotated
Plant	Bean	Phaseolus vulgaris	FooDB	Phenol Explorer
Plant		Cuminum cyminum	FooDB	Manually Annotated
Plant		Allium sativum	FooDB	Manually Annotated
Plant		Sinapis alba	FooDB	Manually Annotated
Plant		Cantharellus cibarius	FooDB	Manually Annotated
Plant		Fragaria x ananassa	FooDB	Manually Annotated
Plant		Brassica ruvo	FooDB	Manually Annotated
Plant		Pyrus communis	FooDB	Manually Annotated
Plant		Rubus idaeus	FooDB	Manually Annotated
Plant		Morus nigra	FooDB	Manually Annotated
Plant		Apium graveolens var. secalinum	FooDB	Manually Annotated
Plant	Wood	Prunus	FooDB	DUKE
Plant	Fruit	Prunus	FooDB	24285751
Plant		Pinus edulis	FooDB	Manually Annotated
Plant		Abelmoschus esculentus	FooDB	Manually Annotated
Plant		Solanum lycopersicum	FooDB	Manually Annotated
Plant		Opuntia macrorhiza	FooDB	Manually Annotated
Plant		Moringa oleifera	FooDB	Manually Annotated
Plant		Passiflora edulis	FooDB	Manually Annotated
Plant		Manilkara zapota	FooDB	Manually Annotated
Plant	Bean	Phaseolus vulgaris	FooDB	Phenol Explorer
Plant		Glycine max	FooDB	34893796
Plant		Allium cepa	FooDB	Manually Annotated
Plant		Glycine max	FooDB	34893796
Plant		Mentha spicata	FooDB	Manually Annotated
Plant		Malus	FooDB	Manually Annotated
Plant		Cucurbita pepo var. clypeata	FooDB	Manually Annotated
Plant		Glycine max	FooDB	34893796
Plant		Corylus	FooDB	Manually Annotated
Plant		Juglans	FooDB	Manually Annotated
Plant		Glycine max	FooDB	34893796
Plant		Citrus sinensis	FooDB	34893796
Plant		Glycine max	FooDB	34893796
Plant	Seed	Vicia faba	FooDB	DUKE
Plant		Sambucus nigra	FooDB	Manually Annotated
Plant		Mangifera indica	FooDB	Manually Annotated
Plant		Glycine max	FooDB	34893796
Plant			FooDB	Manually Annotated
Plant		Glycine max	FooDB	34893796
Plant	Plant	Vigna radiata	FooDB	DUKE
Plant		Ribes nigrum	FooDB	Manually Annotated
Plant		Illicium verum	FooDB	Manually Annotated
Plant		Glycine max	FooDB	34893796
Plant		Zingiber officinale	FooDB	Manually Annotated
Plant		Chamaemelum nobile	FooDB	Manually Annotated
Plant		Auricularia auricula-judae	FooDB	Manually Annotated
Plant		Glycine max	FooDB	34893796
Plant	Wood	Prunus avium	FooDB	DUKE
Plant		Petroselinum crispum	FooDB	Manually Annotated
Plant		Glycine max	FooDB	34893796
Plant		Laurus nobilis	FooDB	Manually Annotated
Plant		Glycine max	FooDB	34893796
Plant		Attalea speciosa	FooDB	Manually Annotated
Plant		Juglans ailanthifolia	FooDB	Manually Annotated
Plant		Glycine max	FooDB	34893796
Plant	Tea	Camellia sinensis	FooDB	34893796
Plant		Prunus domestica	FooDB	34893796
Plant		Glycine max	FooDB	34893796
Plant	Tea	Camellia sinensis	FooDB	34893796
Plant		Polygonum alpinum	FooDB	Manually Annotated
Plant		Glycine max	FooDB	34893796
Plant		Melissa officinalis	FooDB	Manually Annotated
Plant		Hippophae rhamnoides	FooDB	Manually Annotated
Plant		Glycine max	FooDB	34893796
Plant		Pediomelum esculentum	FooDB	Manually Annotated
Plant		Glycine max	FooDB	34893796
Plant		Brassica juncea	FooDB	Manually Annotated
Plant		Auricularia polytricha	FooDB	Manually Annotated
Plant		Glycine max	FooDB	34893796
Plant		Glycine max	FooDB	34893796
Plant		Camellia oleifera	FooDB	Manually Annotated
Plant		Glycine max	FooDB	34893796
Plant		Vaccinium corymbosum	FooDB	Manually Annotated
Plant		Chrysanthemum coronarium	FooDB	Manually Annotated
Plant		Eleocharis dulcis	FooDB	Manually Annotated
Plant		Glycine max	FooDB	34893796
Plant		Glycine max	FooDB	34893796
Plant		Actinidia chinensis	FooDB	Manually Annotated
Plant		Glycine max	FooDB	34893796
Plant		Phaseolus lunatus	FooDB	24285751
Plant		Spinacia oleracea	FooDB	Manually Annotated
Plant		Carica papaya	FooDB	Manually Annotated
Plant		Glycine max	FooDB	34893796
Plant		Thymus vulgaris	FooDB	Manually Annotated
Plant		Rubus arcticus	FooDB	Manually Annotated
Plant		Glycine max	FooDB	34893796
Plant	Seed	Phaseolus lunatus	FooDB	34893796
Plant		Phaseolus vulgaris	FooDB	24285751
Plant		Pimenta dioica	FooDB	Manually Annotated
Plant	Seed	Lens culinaris	FooDB	DUKE
Plant		Rumex articus	FooDB	Manually Annotated
Plant		Lens culinaris	FooDB	34893796
Plant		Agaricus bisporus	FooDB	Manually Annotated
Plant		Hibiscus sabdariffa	FooDB	Manually Annotated
Plant		Canarium ovatum	FooDB	Manually Annotated
Plant		Benincasa hispida	FooDB	Manually Annotated
Plant		Ribes aureum var. villosum	FooDB	Manually Annotated
Plant		Prunus armeniaca	FooDB	34893796
Plant		Origanum majorana	FooDB	Manually Annotated
Plant		Armoracia rusticana	FooDB	Manually Annotated
Plant		Prunus persica	FooDB	Manually Annotated
Plant		Vigna unguiculata ssp. unguiculata	FooDB	34893796
Plant		Cucurbita pepo var. cylindrica	FooDB	Manually Annotated
Plant		Phaseolus vulgaris	FooDB	34893796
Plant		Phaseolus vulgaris	FooDB	34893796
Plant		Phaseolus vulgaris	FooDB	34893796
Plant		Linum usitatissimum	FooDB	34893796
Plant		Brassica oleracea var. gemmifera	FooDB	Manually Annotated
Plant		Vaccinium macrocarpon	FooDB	Manually Annotated
Plant		Brassica oleracea var. gongylodes	FooDB	Manually Annotated
Plant		Eruca vesicaria ssp. sativa	FooDB	Manually Annotated
Plant		Phaseolus vulgaris	FooDB	34893796
Plant		Foeniculum vulgare	FooDB	Manually Annotated
Plant		Arctium lappa	FooDB	Manually Annotated
Plant		Juglans cinerea	FooDB	Manually Annotated
Plant		Phaseolus vulgaris	FooDB	34893796
Plant		Phoenix dactylifera	FooDB	Manually Annotated
Plant		Phaseolus vulgaris	FooDB	34893796
Plant		Artocarpus altilis	FooDB	Manually Annotated
Plant		Metroxylon sagu	FooDB	Manually Annotated
Plant		Phaseolus vulgaris	FooDB	34893796
Plant		Vitis rotundifolia	FooDB	Manually Annotated
Plant		Phaseolus vulgaris	FooDB	34893796
Plant		Vigna unguiculata	FooDB	Manually Annotated
Plant		Anacardium occidentale	FooDB	34893796
Plant		Cynara scolymus	FooDB	Manually Annotated
Plant		Psidium cattleianum	FooDB	Manually Annotated
Plant		Cyathea	FooDB	Manually Annotated
Plant			FooDB	Manually Annotated
Plant		Phaseolus vulgaris	FooDB	34893796
Plant		Brosimum alicastrum	FooDB	Manually Annotated
Plant		Citrus x paradisi	FooDB	Manually Annotated
Plant		Rosmarinus officinalis	FooDB	Manually Annotated
Plant		Castanea mollissima	FooDB	Manually Annotated
Plant		Lentinus edodes	FooDB	Manually Annotated
Plant		Ficus carica	FooDB	Manually Annotated
Plant		Morus	FooDB	Manually Annotated
Plant		Vitis labrusca	FooDB	Manually Annotated
Plant		Lepidium sativum	FooDB	Manually Annotated
Plant		Cicer arietinum	FooDB	34893796
Plant		Cicer arietinum	FooDB	34893796
Plant		Phytolacca americana	FooDB	Manually Annotated
Plant		Helianthus tuberosus	FooDB	Manually Annotated
Plant		Grifola frondosa	FooDB	Manually Annotated
Plant		Beta vulgaris var. rubra	FooDB	Manually Annotated
Plant		Tetragonia tetragonioides	FooDB	Manually Annotated
Plant		Cucumis metuliferus	FooDB	Manually Annotated
Plant		Myrica	FooDB	Manually Annotated
Plant		Nephelium lappaceum	FooDB	Manually Annotated
Plant		Artemisia vulgaris	FooDB	Manually Annotated
Plant	Cotyledon	Glycine max	FooDB	DUKE
Plant	Hypocotyl	Lupinus albus	FooDB	DUKE
Plant		Castanea crenata	FooDB	Manually Annotated
Plant	Seed	Vigna angularis	FooDB	DUKE
Plant		Litchi chinensis	FooDB	Manually Annotated
Plant		Quercus	FooDB	Manually Annotated
Plant		Corylus avellana	FooDB	Manually Annotated
Plant		Vaccinium angustifolium	FooDB	Manually Annotated
Plant			FooDB	34893796
Plant		Malpighia emarginata	FooDB	Manually Annotated
Plant		Juglans regia	FooDB	Manually Annotated
Plant		Physalis	FooDB	Manually Annotated
Plant		Thelesperma	FooDB	Manually Annotated
Plant			FooDB	Manually Annotated
Plant	Hypocotyl	Glycine max	FooDB	DUKE
Plant		Brassica oleracea var. sabauda	FooDB	Manually Annotated
Plant		Chamerion angustifolium	FooDB	Manually Annotated
Plant		Brassica napus	FooDB	Manually Annotated
Plant		Vicia faba	FooDB	34893796
Plant		Vaccinium elliottii	FooDB	Manually Annotated
Plant		Asparagus officinalis	FooDB	Manually Annotated
Plant		Vicia faba	FooDB	34893796
Plant		Levisticum officinale	FooDB	Manually Annotated
Plant		Ziziphus zizyphus	FooDB	Manually Annotated
Plant		Dimocarpus longan	FooDB	Manually Annotated
Plant		Citrus aurantiifolia	FooDB	Manually Annotated
Plant		Salvia hispanica	FooDB	Manually Annotated
Plant		Matricaria recutita	FooDB	Manually Annotated
Plant		Cynara cardunculus	FooDB	Manually Annotated
Plant		Pangium edule	FooDB	Manually Annotated
Plant	Plant	Phaseolus coccineus	FooDB	DUKE
Plant		Lactuca sativa	FooDB	Manually Annotated
Plant		Pimpinella anisum	FooDB	Manually Annotated
Plant		Artemisia dracunculus	FooDB	Manually Annotated
Plant		Vitellaria paradoxa	FooDB	Manually Annotated
Plant		Allium	FooDB	Manually Annotated
Plant		Brassica oleracea var. viridis	FooDB	Manually Annotated
Plant		Agave	FooDB	Manually Annotated
Plant		Pistacia vera	FooDB	Manually Annotated
Plant		Eragrostis tef	FooDB	Manually Annotated
Plant		Brassica oleracea var. italica	FooDB	34893796
Plant		Hedysarum alpinum	FooDB	Manually Annotated
Plant		Vigna aconitifolia	FooDB	Manually Annotated
Plant		Malus pumila	FooDB	Manually Annotated
Plant		Diospyros	FooDB	Manually Annotated
Plant		Amaranthus	FooDB	Manually Annotated
Plant		Punica granatum	FooDB	Manually Annotated
Plant		Vitis vinifera	FooDB	34893796
Plant		Mammea americana	FooDB	Manually Annotated
Plant		Gossypium	FooDB	Manually Annotated
Plant		Brassica alboglabra	FooDB	Manually Annotated
Plant		Vitis vinifera	FooDB	34893796
Plant		Apium graveolens var. dulce	FooDB	Manually Annotated
Plant		Beta vulgaris	FooDB	Manually Annotated
Plant		Annona squamosa	FooDB	Manually Annotated
Plant		Xanthosoma sagittifolium	FooDB	Manually Annotated
Plant		Basella alba	FooDB	Manually Annotated
Plant		Vitis	FooDB	Manually Annotated
Plant		Phaseolus coccineus	FooDB	24285751
Plant		Capsicum baccatum var. baccatum	FooDB	Manually Annotated
Plant		Citrus latifolia	FooDB	Manually Annotated
Plant			FooDB	Manually Annotated
Plant		Byrsonima crassifolia	FooDB	Manually Annotated

Source Type	Activity	Data Source	Reference
Not Available	Antioxidant	U.S. Environmental Protection Agency	CompTox
Not Available	Androgen receptors binding	U.S. Environmental Protection Agency	CompTox
Not Available	Neurodevelopment effects	U.S. Environmental Protection Agency	CompTox
General Exposome	Not Available	U.S. Environmental Protection Agency	CompTox
Drugs	Antimicrobial	U.S. Environmental Protection Agency	CompTox
Cosmetics	Not Available	U.S. Environmental Protection Agency	CompTox
Domestics	Not Available	U.S. Environmental Protection Agency	CompTox
Cosmetics	Not Available	U.S. Environmental Protection Agency	CompTox

Host Biospecimen and Location

Host and Biospecimen	Status	Mean	Std	Min	Max	Units	Age	Sex	Health Condition	Data Source	Reference
Human Urine	Detected and Quantified	0.39	0.18			umol/mmol creatinine	Adult (>18 years old)	Both	Soy consumption (ileostomies)	HMDB	17413104
Human Urine	Detected and Quantified	0.00122				umol/mmol creatinine	Adult (>18 years old)	Both	Normal	HMDB	19167951
Human Blood	Detected and Quantified	0.0027				uM	Adult (>18 years old)	Female	Normal	HMDB	20332276
Human Blood	Detected and Quantified	0.0057				uM	Adult (>18 years old)	Female	Normal	HMDB	9796633
Human Blood	Detected and Quantified	0.00925				uM	Adult (>18 years old)	Female	Normal	HMDB	9796633
Human Urine	Detected and Quantified	0.00971				umol/mmol creatinine	Children (1 - 13 years old)	Both	Normal	HMDB	17976571
Human Blood	Detected and Quantified	0.0122				uM	Adult (>18 years old)	Female	Normal	HMDB	12600860
Human Urine	Detected and Quantified	0.0124				umol/mmol creatinine	Adult (>18 years old)	Female	Normal	HMDB	20332276
Human Blood	Detected and Quantified	0.013				uM	Adult (>18 years old)	Female	Normal	HMDB	15159299
Human Urine	Detected and Quantified	0.0147				umol/mmol creatinine	Adult (>18 years old)	Both	Normal	HMDB	27273479
Human Blood	Detected and Quantified	0.0169				uM	Adult (>18 years old)	Both	Normal	HMDB	12396157
Human Urine	Detected and Quantified	0.0185				umol/mmol creatinine	Children (1 - 13 years old)	Female	Normal	HMDB	17366830
Human Blood	Detected and Quantified	0.0278				uM	Adult (>18 years old)	Female	Normal	HMDB	11570994
Human Urine	Detected and Quantified	0.0292				umol/mmol creatinine	Adult (>18 years old)	Female	Normal	HMDB	15159299
Human Blood	Detected and Quantified	0.0338				uM	Adult (>18 years old)	Male	Normal	HMDB	16205743
Human Blood	Detected and Quantified	0.0588				uM	Adult (>18 years old)	Female	Normal	HMDB	11570994
Human Urine	Detected and Quantified	0.0907				umol/mmol creatinine	Adult (>18 years old)	Both	Normal	HMDB	18469267
Human Urine	Detected and Quantified	0.18				umol/mmol creatinine	Adult (>18 years old)	Both	Normal	HMDB	15005831
Human Blood	Detected and Quantified	0.181				uM	Adult (>18 years old)	Female	Normal	HMDB	10778038
Human Urine	Detected and Quantified	0.193				umol/mmol creatinine	Adult (>18 years old)	Both	Normal	HMDB	18469267
Human Urine	Detected and Quantified	0.215				umol/mmol creatinine	Children (1-13 years old)	Female	Normal	HMDB	20385037
Human Blood	Detected and Quantified	0.246				uM	Adult (>18 years old)	Both	Normal	HMDB	15005831
Human Urine	Detected and Quantified	0.272				umol/mmol creatinine	Adult (>18 years old)	Female	Normal	HMDB	22493748
Human Blood	Detected and Quantified	0.278				uM	Adult (>18 years old)	Female	Normal	HMDB	10778038
Human Blood	Detected and Quantified	0.285				uM	Adult (>18 years old)	Female	Normal	HMDB	11570994
Human Blood	Detected and Quantified	0.525				uM	Adult (>18 years old)	Female	Normal	HMDB	11570994
Human Urine	Detected and Quantified	0.644				umol/mmol creatinine	Children (1-13 years old)	Female	Normal	HMDB	20385037
Human Urine	Detected and Quantified	0.707				umol/mmol creatinine	Adult (>18 years old)	Female	Normal	HMDB	10778038
Human Urine	Detected and Quantified	0.753				umol/mmol creatinine	Adult (>18 years old)	Female	Normal	HMDB	10778038
Human Blood	Detected and Quantified	0.00022	0.00030			uM	Adult (>18 years old)	Both	Normal	HMDB	9618027
Human Blood	Detected and Quantified	0.0063		0.0056	0.0071	uM	Adult (>18 years old)	Female	Normal	HMDB	17449595
Human Blood	Detected and Quantified	0.0065		0.0057	0.0074	uM	Adult (>18 years old)	Male	Normal	HMDB	17449595
Human Urine	Detected and Quantified	0.0140	0.0133			umol/mmol creatinine	Adult (>18 years old)	Both	Normal	HMDB	10744130
Human Urine	Detected and Quantified	0.0160	0.0200			umol/mmol creatinine	Adult (>18 years old)	Both	Normal	HMDB	10744130
Human Blood	Detected and Quantified	0.0183	0.0207			uM	Adult (>18 years old)	Female	Normal	HMDB	15623842
Human Urine	Detected and Quantified	0.0192	0.0272			umol/mmol creatinine	Adult (>18 years old)	Female	Normal	HMDB	9681530
Human Urine	Detected and Quantified	0.0237	0.0300			umol/mmol creatinine	Adult (>18 years old)	Both	Normal	HMDB	26814424
Human Blood	Detected and Quantified	0.025		0.000	0.050	uM	Adult (>18 years old)	Both	Normal	HMDB	9618027
Human Urine	Detected and Quantified	0.028		0.0077	0.064	umol/mmol creatinine	Adult (>18 years old)	Both	Normal	HMDB	24023812
Human Urine	Detected and Quantified	0.032	0.007			umol/mmol creatinine	Adult (>18 years old)	Female	Normal	HMDB	10822017
Human Urine	Detected and Quantified	0.0352	0.0560			umol/mmol creatinine	Adult (>18 years old)	Female	Normal	HMDB	9681530
Human Urine	Detected and Quantified	0.0367	0.0813			umol/mmol creatinine	Adult (>18 years old)	Both	Normal	HMDB	10744130
Human Urine	Detected and Quantified	0.0448	0.0992			umol/mmol creatinine	Adult (>18 years old)	Female	Normal	HMDB	9681530
Human Urine	Detected and Quantified	0.0571	0.0674			umol/mmol creatinine	Adult (>18 years old)	Female	Normal	HMDB	18791925
Human Urine	Detected and Quantified	0.104	0.168			umol/mmol creatinine	Adult (>18 years old)	Female	Normal	HMDB	9681530
Human Urine	Detected and Quantified	0.105	0.199			umol/mmol creatinine	Adult (>18 years old)	Female	Normal	HMDB	18791925
Human Urine	Detected and Quantified	0.11	0.017			umol/mmol creatinine	Adult (>18 years old)	Female	Normal	HMDB	10822017
Human Urine	Detected and Quantified	0.115	0.259			umol/mmol creatinine	Adult (>18 years old)	Female	Normal	HMDB	9681530
Human Urine	Detected and Quantified	0.200	0.320			umol/mmol creatinine	Adult (>18 years old)	Female	Normal	HMDB	17353586
Human Urine	Detected and Quantified	0.214	0.298			umol/mmol creatinine	Adult (>18 years old)	Female	Normal	HMDB	9681530
Human Urine	Detected and Quantified	0.23	0.08			umol/mmol creatinine	Adult (>18 years old)	Both	Normal	HMDB	17413104
Human Blood	Detected and Quantified	0.307	0.325			uM	Adult (>18 years old)	Female	Normal	HMDB	10778038
Human Blood	Detected and Quantified	0.475	0.510			uM	Adult (>18 years old)	Both	Normal	HMDB	11584098
Human Urine	Detected and Quantified	0.880	0.693			umol/mmol creatinine	Adult (>18 years old)	Female	Normal	HMDB	10778038
Human Urine	Detected and Quantified	0.947	0.940			umol/mmol creatinine	Adult (>18 years old)	Both	Normal	HMDB	11584098
Human Urine	Detected and Quantified	0.0127		0.0108	0.0150	umol/mmol creatinine	Adult (>18 years old)	Not Specified	Normal	HMDB	National Health and Nutrition Examination Survey (NHANES Survey) 2013
Human Urine	Detected and Quantified	0.0228		0.0174	0.0251	umol/mmol creatinine	Children (1-13 years old)	Not Specified	Normal	HMDB	National Health and Nutrition Examination Survey (NHANES Survey) 2013
Human Urine	Detected and Quantified			0.26	0.46	umol/mmol creatinine	Not Specified	Both	Genistein Exposure	HMDB	National Health and Nutrition Examination Survey (NHANES Survey) 2019
Human Urine	Detected and Quantified			0.16	0.21	umol/mmol creatinine	Not Specified	Both	Genistein Exposure	HMDB	National Health and Nutrition Examination Survey (NHANES Survey) 2019
Human Urine	Detected and Quantified			0.19	0.47	umol/mmol creatinine	Not Specified	Both	Genistein Exposure	HMDB	National Health and Nutrition Examination Survey (NHANES Survey) 2019
Human Urine	Detected and Quantified			0.16	0.26	umol/mmol creatinine	Not Specified	Both	Genistein Exposure	HMDB	National Health and Nutrition Examination Survey (NHANES Survey) 2019
Human Urine	Detected and Quantified			0.17	0.31	umol/mmol creatinine	Not Specified	Both	Genistein Exposure	HMDB	National Health and Nutrition Examination Survey (NHANES Survey) 2019
Human Urine	Detected and Quantified			0.14	0.21	umol/mmol creatinine	Not Specified	Both	Genistein Exposure	HMDB	National Health and Nutrition Examination Survey (NHANES Survey) 2019
Human Adipose tissue	Detected but not Quantified						Not Specified	Not Specified	Normal	HMDB	34986597
Human Adrenal gland	Detected but not Quantified						Not Specified	Not Specified	Normal	HMDB	34986597
Human Epidermis	Detected but not Quantified						Not Specified	Not Specified	Normal	HMDB	34986597
Human Fibroblasts	Detected but not Quantified						Not Specified	Not Specified	Normal	HMDB	34986597
Human Intestine	Detected but not Quantified						Not Specified	Not Specified	Normal	HMDB	34986597
Human Liver	Detected but not Quantified						Not Specified	Not Specified	Normal	HMDB	34986597
Human Neuron	Detected but not Quantified						Not Specified	Not Specified	Normal	HMDB	34986597
Human Placenta	Detected but not Quantified						Not Specified	Not Specified	Normal	HMDB	34986597
Human Platelet	Detected but not Quantified						Not Specified	Not Specified	Normal	HMDB	34986597
Human Prostate	Detected but not Quantified						Not Specified	Not Specified	Normal	HMDB	34986597
Human Skeletal muscle	Detected but not Quantified						Not Specified	Not Specified	Normal	HMDB	34986597
Human Testis	Detected but not Quantified						Not Specified	Not Specified	Normal	HMDB	34986597
Human Urine	Detected but not Quantified						Adult (>18 years old)	Both	Normal	HMDB	23657156
Human Feces	Detected but not Quantified						Adult (>18 years old)	Both	Normal	HMDB	27543620
Human Feces	Detected but not Quantified						Adult (>18 years old)	Both	Normal	HMDB	25037050
Human Urine	Detected but not Quantified						Adult (>18 years old)	Both	Normal	HMDB	32966057
Human Blood	Detected but not Quantified						Adult (>18 years old)	Both	Normal	HMDB	32966057

External Links

HMDB ID

HMDB0003217

DrugBank ID

DB01645

Phenol Explorer Compound ID

FooDB ID

KNApSAcK ID

Chemspider ID

KEGG Compound ID

BioCyc ID

BiGG ID

Not Available

Wikipedia Link

Genistein

METLIN ID

3398

PubChem Compound

5280961

PDB ID

Not Available

ChEBI ID

28088

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

General References

Fotsis T, Pepper MS, Aktas E, Breit S, Rasku S, Adlercreutz H, Wahala K, Montesano R, Schweigerer L: Flavonoids, dietary-derived inhibitors of cell proliferation and in vitro angiogenesis. Cancer Res. 1997 Jul 15;57(14):2916-21. [PubMed:9230201 ]
Casagrande F, Darbon JM: p21CIP1 is dispensable for the G2 arrest caused by genistein in human melanoma cells. Exp Cell Res. 2000 Jul 10;258(1):101-8. doi: 10.1006/excr.2000.4914. [PubMed:10912792 ]
Wisniewski AB, Klein SL, Lakshmanan Y, Gearhart JP: Exposure to genistein during gestation and lactation demasculinizes the reproductive system in rats. J Urol. 2003 Apr;169(4):1582-6. doi: 10.1097/01.ju.0000046780.23389.e0. [PubMed:12629420 ]
Ohno S, Nakajima Y, Inoue K, Nakazawa H, Nakajin S: Genistein administration decreases serum corticosterone and testosterone levels in rats. Life Sci. 2003 Dec 26;74(6):733-42. doi: 10.1016/j.lfs.2003.04.006. [PubMed:14654166 ]
Kim S, Shin HJ, Kim SY, Kim JH, Lee YS, Kim DH, Lee MO: Genistein enhances expression of genes involved in fatty acid catabolism through activation of PPARalpha. Mol Cell Endocrinol. 2004 May 31;220(1-2):51-8. doi: 10.1016/j.mce.2004.03.011. [PubMed:15196699 ]
Sonee M, Sum T, Wang C, Mukherjee SK: The soy isoflavone, genistein, protects human cortical neuronal cells from oxidative stress. Neurotoxicology. 2004 Sep;25(5):885-91. doi: 10.1016/j.neuro.2003.11.001. [PubMed:15288519 ]
Crisafulli A, Altavilla D, Marini H, Bitto A, Cucinotta D, Frisina N, Corrado F, D'Anna R, Squadrito G, Adamo EB, Marini R, Romeo A, Cancellieri F, Buemi M, Squadrito F: Effects of the phytoestrogen genistein on cardiovascular risk factors in postmenopausal women. Menopause. 2005 Mar;12(2):186-92. doi: 10.1097/00042192-200512020-00013. [PubMed:15772566 ]
Huang X, Chen S, Xu L, Liu Y, Deb DK, Platanias LC, Bergan RC: Genistein inhibits p38 map kinase activation, matrix metalloproteinase type 2, and cell invasion in human prostate epithelial cells. Cancer Res. 2005 Apr 15;65(8):3470-8. doi: 10.1158/0008-5472.CAN-04-2807. [PubMed:15833883 ]
D'Souza N, Skonberg DI, Camire ME, Guthrie KE, Malison J, Lima L: Influence of dietary genistein levels on tissue genistein deposition and on the physical, chemical, and sensory quality of rainbow trout, Oncorhynchus mykiss. J Agric Food Chem. 2005 May 4;53(9):3631-6. doi: 10.1021/jf0484024. [PubMed:15853412 ]
Li Y, Ahmed F, Ali S, Philip PA, Kucuk O, Sarkar FH: Inactivation of nuclear factor kappaB by soy isoflavone genistein contributes to increased apoptosis induced by chemotherapeutic agents in human cancer cells. Cancer Res. 2005 Aug 1;65(15):6934-42. doi: 10.1158/0008-5472.CAN-04-4604. [PubMed:16061678 ]
de Pascual-Teresa S, Hallund J, Talbot D, Schroot J, Williams CM, Bugel S, Cassidy A: Absorption of isoflavones in humans: effects of food matrix and processing. J Nutr Biochem. 2006 Apr;17(4):257-64. doi: 10.1016/j.jnutbio.2005.04.008. [PubMed:16109484 ]
Li M, Zhang Z, Hill DL, Chen X, Wang H, Zhang R: Genistein, a dietary isoflavone, down-regulates the MDM2 oncogene at both transcriptional and posttranslational levels. Cancer Res. 2005 Sep 15;65(18):8200-8. doi: 10.1158/0008-5472.CAN-05-1302. [PubMed:16166295 ]
Ronis MJ, Little JM, Barone GW, Chen G, Radominska-Pandya A, Badger TM: Sulfation of the isoflavones genistein and daidzein in human and rat liver and gastrointestinal tract. J Med Food. 2006 Fall;9(3):348-55. doi: 10.1089/jmf.2006.9.348. [PubMed:17004897 ]
Si H, Liu D: Phytochemical genistein in the regulation of vascular function: new insights. Curr Med Chem. 2007;14(24):2581-9. doi: 10.2174/092986707782023325. [PubMed:17979711 ]

Showing metabocard for Genistein (MMDBc0000420)

MOL for #<Metabolite:0x00007fdb1a06e7b0>

3D MOL for #<Metabolite:0x00007fdb1a06e7b0>

3D SDF for #<Metabolite:0x00007fdb1a06e7b0>

3D-SDF for #<Metabolite:0x00007fdb1a06e7b0>

PDB for #<Metabolite:0x00007fdb1a06e7b0>

3D PDB for #<Metabolite:0x00007fdb1a06e7b0>

SMILES for #<Metabolite:0x00007fdb1a06e7b0>

INCHI for #<Metabolite:0x00007fdb1a06e7b0>

Structure for #<Metabolite:0x00007fdb1a06e7b0>

3D Structure for #<Metabolite:0x00007fdb1a06e7b0>