MiMeDB: Showing metabocard for curcumin (MMDBc0031786)

Not Available

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2021-11-18 01:49:16 UTC

Update Date

2024-09-27 19:12:35 UTC

Metabolite ID

MMDBc0031786

Metabolite Identification

Common Name

curcumin

Description

Curcumin is a yellow, polyphenolic pigment, derived from the rhizomes of a plant (Curcuma longa Linn). It is the principal curcuminoid of the popular Indian spice turmeric, which is a member of the ginger family and is a natural antioxidant exhibiting a variety of pharmacological activities and therapeutic properties. It has long been used as a traditional medicine and as a preservative and coloring agent in foods.. In E. coli it is a substrate for the enzyme NADPH-dependent curcumin reductase which catalyzes the metal-independent reduction of curcumin to dihydrocurcumin (DHC) as an intermediate product, followed by further reduction to tetrahydrocurcumin (THC) as an end product. Tetrahydrocurcumin (THC) exhibits many of the same physiologic and pharmacological activities as curcumin and in some systems may exert greater antioxidant activity than curcumin [PMID:21467222 ]

Structure

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

HMDB02269.mol
  Mrv0541 02231219272D          

 27 28  0  0  0  0            999 V2000
   -4.2907    0.6195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2907   -0.2065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5766   -0.6195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8624   -0.2065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8624    0.6195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5766    1.0325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0049   -0.6195    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5766   -1.4455    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1453    1.0325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4312    0.6195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7142    1.0325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.6195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7142    1.8585    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7170    1.0325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4312    0.6195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7170    1.8585    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1482    1.0325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8652    0.6195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8652   -0.2065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5794   -0.6195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2907   -0.2065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2907    0.6195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5794    1.0325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5794   -1.4455    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0078   -0.6195    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2907   -1.8585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2936   -1.8585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  1  6  1  0  0  0  0
  2  7  1  0  0  0  0
  3  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 18 23  1  0  0  0  0
 20 24  1  0  0  0  0
 21 25  1  0  0  0  0
  8 26  1  0  0  0  0
 24 27  1  0  0  0  0
M  END

HMDB0002269
     RDKit          3D
Curcumin
 47 48  0  0  0  0  0  0  0  0999 V2000
   -5.8042   -0.3397   -2.6777 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2382   -1.1425   -1.6124 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5374   -1.1585   -0.4187 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4024   -0.4017   -0.2246 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7060   -0.4233    0.9747 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5108    0.3963    1.1292 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7747    0.4592    2.2114 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5875    1.3163    2.2684 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1033    1.3611    3.3162 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1643    2.1465    1.1161 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0418    2.9094    1.4224 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9004    4.0059    2.0605 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4118    2.5143    1.0533 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6775    1.4010    0.3947 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0100    0.9593    0.0029 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1620    1.6553    0.2747 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3875    1.1401   -0.1476 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4742   -0.0410   -0.8263 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7115   -0.5268   -1.2333 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3117   -0.7577   -1.1087 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4330   -1.9466   -1.7954 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2594   -2.7007   -2.0987 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1142   -0.2355   -0.6852 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2057   -1.2381    1.9598 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3477   -2.0089    1.7856 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0293   -1.9808    0.5964 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1690   -2.7345    0.3877 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5114    0.6652   -2.3380 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9744   -0.8230   -3.2553 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6579   -0.2391   -3.3908 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0129    0.2458   -1.0205 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1829    1.0171    0.2864 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0600   -0.1350    3.0647 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0938    1.5399    0.1941 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9941    2.8690    0.9337 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2477    3.1442    1.3215 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7891    0.8031    0.1523 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1095    2.5783    0.8031 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2703    1.7271    0.0911 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5391    0.0069   -1.0194 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7006   -2.8022   -1.1276 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6398   -2.0685   -2.7655 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5095   -3.6844   -2.5259 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2216   -0.8252   -0.9242 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7087   -1.2945    2.9059 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6790   -2.6283    2.6147 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6732   -2.7250   -0.4660 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 18 20  1  0
 20 21  1  0
 21 22  1  0
 20 23  2  0
  5 24  2  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 26  3  1  0
 23 15  1  0
  1 28  1  0
  1 29  1  0
  1 30  1  0
  4 31  1  0
  6 32  1  0
  7 33  1  0
 10 34  1  0
 10 35  1  0
 13 36  1  0
 14 37  1  0
 16 38  1  0
 17 39  1  0
 19 40  1  0
 22 41  1  0
 22 42  1  0
 22 43  1  0
 23 44  1  0
 24 45  1  0
 25 46  1  0
 27 47  1  0
M  END

HMDB02269.mol
  Mrv0541 02231219272D          

 27 28  0  0  0  0            999 V2000
   -4.2907    0.6195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2907   -0.2065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5766   -0.6195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8624   -0.2065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8624    0.6195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5766    1.0325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0049   -0.6195    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5766   -1.4455    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1453    1.0325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4312    0.6195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7142    1.0325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.6195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7142    1.8585    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7170    1.0325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4312    0.6195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7170    1.8585    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1482    1.0325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8652    0.6195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8652   -0.2065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5794   -0.6195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2907   -0.2065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2907    0.6195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5794    1.0325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5794   -1.4455    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0078   -0.6195    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2907   -1.8585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2936   -1.8585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  1  6  1  0  0  0  0
  2  7  1  0  0  0  0
  3  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 18 23  1  0  0  0  0
 20 24  1  0  0  0  0
 21 25  1  0  0  0  0
  8 26  1  0  0  0  0
 24 27  1  0  0  0  0
M  END
> <DATABASE_ID>
MMDBc0031786

> <DATABASE_NAME>
MIME

> <SMILES>
COC1=CC(\C=C\C(=O)CC(=O)\C=C\C2=CC(OC)=C(O)C=C2)=CC=C1O

> <INCHI_IDENTIFIER>
InChI=1S/C21H20O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-12,24-25H,13H2,1-2H3/b7-3+,8-4+

> <INCHI_KEY>
VFLDPWHFBUODDF-FCXRPNKRSA-N

> <FORMULA>
C21H20O6

> <MOLECULAR_WEIGHT>
368.3799

> <EXACT_MASS>
368.125988372

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_AVERAGE_POLARIZABILITY>
38.12302565425179

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(1E,6E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione

> <ALOGPS_LOGP>
3.62

> <JCHEM_LOGP>
4.1245245509999995

> <ALOGPS_LOGS>
-4.81

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
9.583124219322876

> <JCHEM_PKA_STRONGEST_ACIDIC>
9.061334054864934

> <JCHEM_PKA_STRONGEST_BASIC>
-4.355207917811037

> <JCHEM_POLAR_SURFACE_AREA>
93.06

> <JCHEM_REFRACTIVITY>
103.8106

> <JCHEM_ROTATABLE_BOND_COUNT>
8

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
5.75e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
curcumin

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0002269
     RDKit          3D
Curcumin
 47 48  0  0  0  0  0  0  0  0999 V2000
   -5.8042   -0.3397   -2.6777 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2382   -1.1425   -1.6124 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5374   -1.1585   -0.4187 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4024   -0.4017   -0.2246 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7060   -0.4233    0.9747 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5108    0.3963    1.1292 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7747    0.4592    2.2114 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5875    1.3163    2.2684 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1033    1.3611    3.3162 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1643    2.1465    1.1161 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0418    2.9094    1.4224 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9004    4.0059    2.0605 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4118    2.5143    1.0533 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6775    1.4010    0.3947 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0100    0.9593    0.0029 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1620    1.6553    0.2747 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3875    1.1401   -0.1476 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4742   -0.0410   -0.8263 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7115   -0.5268   -1.2333 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3117   -0.7577   -1.1087 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4330   -1.9466   -1.7954 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2594   -2.7007   -2.0987 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1142   -0.2355   -0.6852 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2057   -1.2381    1.9598 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3477   -2.0089    1.7856 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0293   -1.9808    0.5964 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1690   -2.7345    0.3877 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5114    0.6652   -2.3380 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9744   -0.8230   -3.2553 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6579   -0.2391   -3.3908 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0129    0.2458   -1.0205 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1829    1.0171    0.2864 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0600   -0.1350    3.0647 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0938    1.5399    0.1941 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9941    2.8690    0.9337 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2477    3.1442    1.3215 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7891    0.8031    0.1523 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1095    2.5783    0.8031 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2703    1.7271    0.0911 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5391    0.0069   -1.0194 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7006   -2.8022   -1.1276 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6398   -2.0685   -2.7655 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5095   -3.6844   -2.5259 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2216   -0.8252   -0.9242 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7087   -1.2945    2.9059 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6790   -2.6283    2.6147 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6732   -2.7250   -0.4660 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 18 20  1  0
 20 21  1  0
 21 22  1  0
 20 23  2  0
  5 24  2  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 26  3  1  0
 23 15  1  0
  1 28  1  0
  1 29  1  0
  1 30  1  0
  4 31  1  0
  6 32  1  0
  7 33  1  0
 10 34  1  0
 10 35  1  0
 13 36  1  0
 14 37  1  0
 16 38  1  0
 17 39  1  0
 19 40  1  0
 22 41  1  0
 22 42  1  0
 22 43  1  0
 23 44  1  0
 24 45  1  0
 25 46  1  0
 27 47  1  0
M  END

HEADER    PROTEIN                                 23-FEB-12   NONE
TITLE     NULL                                                        
COMPND    MOLECULE: HMDB02269.mol                                     
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   23-FEB-12         0                                  
HETATM    1  C   UNK     0      -8.009   1.156   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -8.009  -0.385   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -6.676  -1.156   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -5.343  -0.385   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -5.343   1.156   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -6.676   1.927   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0      -9.342  -1.156   0.000  0.00  0.00           O+0
HETATM    8  O   UNK     0      -6.676  -2.698   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0      -4.005   1.927   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -2.672   1.156   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -1.333   1.927   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       0.000   1.156   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0      -1.333   3.469   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0       1.338   1.927   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       2.672   1.156   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0       1.338   3.469   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0       4.010   1.927   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       5.348   1.156   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       5.348  -0.385   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       6.682  -1.156   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       8.009  -0.385   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       8.009   1.156   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       6.682   1.927   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0       6.682  -2.698   0.000  0.00  0.00           O+0
HETATM   25  O   UNK     0       9.348  -1.156   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0      -8.009  -3.469   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       8.015  -3.469   0.000  0.00  0.00           C+0
CONECT    1    2    6                                                       
CONECT    2    1    3    7                                                  
CONECT    3    2    4    8                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6    9                                                  
CONECT    6    5    1                                                       
CONECT    7    2                                                            
CONECT    8    3   26                                                       
CONECT    9    5   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12   13                                                  
CONECT   12   11   14                                                       
CONECT   13   11                                                            
CONECT   14   12   15   16                                                  
CONECT   15   14   17                                                       
CONECT   16   14                                                            
CONECT   17   15   18                                                       
CONECT   18   17   19   23                                                  
CONECT   19   18   20                                                       
CONECT   20   19   21   24                                                  
CONECT   21   20   22   25                                                  
CONECT   22   21   23                                                       
CONECT   23   22   18                                                       
CONECT   24   20   27                                                       
CONECT   25   21                                                            
CONECT   26    8                                                            
CONECT   27   24                                                            
MASTER        0    0    0    0    0    0    0    0   27    0   56    0
END

COMPND    HMDB0002269
HETATM    1  C1  UNL     1      -5.804  -0.340  -2.678  1.00  0.00           C  
HETATM    2  O1  UNL     1      -6.238  -1.142  -1.612  1.00  0.00           O  
HETATM    3  C2  UNL     1      -5.537  -1.158  -0.419  1.00  0.00           C  
HETATM    4  C3  UNL     1      -4.402  -0.402  -0.225  1.00  0.00           C  
HETATM    5  C4  UNL     1      -3.706  -0.423   0.975  1.00  0.00           C  
HETATM    6  C5  UNL     1      -2.511   0.396   1.129  1.00  0.00           C  
HETATM    7  C6  UNL     1      -1.775   0.459   2.211  1.00  0.00           C  
HETATM    8  C7  UNL     1      -0.588   1.316   2.268  1.00  0.00           C  
HETATM    9  O2  UNL     1       0.103   1.361   3.316  1.00  0.00           O  
HETATM   10  C8  UNL     1      -0.164   2.147   1.116  1.00  0.00           C  
HETATM   11  C9  UNL     1       1.042   2.909   1.422  1.00  0.00           C  
HETATM   12  O3  UNL     1       0.900   4.006   2.061  1.00  0.00           O  
HETATM   13  C10 UNL     1       2.412   2.514   1.053  1.00  0.00           C  
HETATM   14  C11 UNL     1       2.678   1.401   0.395  1.00  0.00           C  
HETATM   15  C12 UNL     1       4.010   0.959   0.003  1.00  0.00           C  
HETATM   16  C13 UNL     1       5.162   1.655   0.275  1.00  0.00           C  
HETATM   17  C14 UNL     1       6.387   1.140  -0.148  1.00  0.00           C  
HETATM   18  C15 UNL     1       6.474  -0.041  -0.826  1.00  0.00           C  
HETATM   19  O4  UNL     1       7.712  -0.527  -1.233  1.00  0.00           O  
HETATM   20  C16 UNL     1       5.312  -0.758  -1.109  1.00  0.00           C  
HETATM   21  O5  UNL     1       5.433  -1.947  -1.795  1.00  0.00           O  
HETATM   22  C17 UNL     1       4.259  -2.701  -2.099  1.00  0.00           C  
HETATM   23  C18 UNL     1       4.114  -0.235  -0.685  1.00  0.00           C  
HETATM   24  C19 UNL     1      -4.206  -1.238   1.960  1.00  0.00           C  
HETATM   25  C20 UNL     1      -5.348  -2.009   1.786  1.00  0.00           C  
HETATM   26  C21 UNL     1      -6.029  -1.981   0.596  1.00  0.00           C  
HETATM   27  O6  UNL     1      -7.169  -2.734   0.388  1.00  0.00           O  
HETATM   28  H1  UNL     1      -5.511   0.665  -2.338  1.00  0.00           H  
HETATM   29  H2  UNL     1      -4.974  -0.823  -3.255  1.00  0.00           H  
HETATM   30  H3  UNL     1      -6.658  -0.239  -3.391  1.00  0.00           H  
HETATM   31  H4  UNL     1      -4.013   0.246  -1.021  1.00  0.00           H  
HETATM   32  H5  UNL     1      -2.183   1.017   0.286  1.00  0.00           H  
HETATM   33  H6  UNL     1      -2.060  -0.135   3.065  1.00  0.00           H  
HETATM   34  H7  UNL     1      -0.094   1.540   0.194  1.00  0.00           H  
HETATM   35  H8  UNL     1      -0.994   2.869   0.934  1.00  0.00           H  
HETATM   36  H9  UNL     1       3.248   3.144   1.321  1.00  0.00           H  
HETATM   37  H10 UNL     1       1.789   0.803   0.152  1.00  0.00           H  
HETATM   38  H11 UNL     1       5.110   2.578   0.803  1.00  0.00           H  
HETATM   39  H12 UNL     1       7.270   1.727   0.091  1.00  0.00           H  
HETATM   40  H13 UNL     1       8.539   0.007  -1.019  1.00  0.00           H  
HETATM   41  H14 UNL     1       3.701  -2.802  -1.128  1.00  0.00           H  
HETATM   42  H15 UNL     1       3.640  -2.069  -2.765  1.00  0.00           H  
HETATM   43  H16 UNL     1       4.509  -3.684  -2.526  1.00  0.00           H  
HETATM   44  H17 UNL     1       3.222  -0.825  -0.924  1.00  0.00           H  
HETATM   45  H18 UNL     1      -3.709  -1.295   2.906  1.00  0.00           H  
HETATM   46  H19 UNL     1      -5.679  -2.628   2.615  1.00  0.00           H  
HETATM   47  H20 UNL     1      -7.673  -2.725  -0.466  1.00  0.00           H  
CONECT    1    2   28   29   30
CONECT    2    3
CONECT    3    4    4   26
CONECT    4    5   31
CONECT    5    6   24   24
CONECT    6    7    7   32
CONECT    7    8   33
CONECT    8    9    9   10
CONECT   10   11   34   35
CONECT   11   12   12   13
CONECT   13   14   14   36
CONECT   14   15   37
CONECT   15   16   16   23
CONECT   16   17   38
CONECT   17   18   18   39
CONECT   18   19   20
CONECT   19   40
CONECT   20   21   23   23
CONECT   21   22
CONECT   22   41   42   43
CONECT   23   44
CONECT   24   25   45
CONECT   25   26   26   46
CONECT   26   27
CONECT   27   47
END

HMDB0002269
     RDKit          3D
Curcumin
 47 48  0  0  0  0  0  0  0  0999 V2000
   -5.8042   -0.3397   -2.6777 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2382   -1.1425   -1.6124 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5374   -1.1585   -0.4187 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4024   -0.4017   -0.2246 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7060   -0.4233    0.9747 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5108    0.3963    1.1292 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7747    0.4592    2.2114 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5875    1.3163    2.2684 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1033    1.3611    3.3162 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1643    2.1465    1.1161 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0418    2.9094    1.4224 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9004    4.0059    2.0605 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4118    2.5143    1.0533 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6775    1.4010    0.3947 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0100    0.9593    0.0029 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1620    1.6553    0.2747 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3875    1.1401   -0.1476 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4742   -0.0410   -0.8263 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7115   -0.5268   -1.2333 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3117   -0.7577   -1.1087 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4330   -1.9466   -1.7954 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2594   -2.7007   -2.0987 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1142   -0.2355   -0.6852 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2057   -1.2381    1.9598 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3477   -2.0089    1.7856 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0293   -1.9808    0.5964 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1690   -2.7345    0.3877 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5114    0.6652   -2.3380 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9744   -0.8230   -3.2553 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6579   -0.2391   -3.3908 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0129    0.2458   -1.0205 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1829    1.0171    0.2864 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0600   -0.1350    3.0647 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0938    1.5399    0.1941 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9941    2.8690    0.9337 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2477    3.1442    1.3215 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7891    0.8031    0.1523 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1095    2.5783    0.8031 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2703    1.7271    0.0911 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5391    0.0069   -1.0194 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7006   -2.8022   -1.1276 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6398   -2.0685   -2.7655 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5095   -3.6844   -2.5259 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2216   -0.8252   -0.9242 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7087   -1.2945    2.9059 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6790   -2.6283    2.6147 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6732   -2.7250   -0.4660 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 18 20  1  0
 20 21  1  0
 21 22  1  0
 20 23  2  0
  5 24  2  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 26  3  1  0
 23 15  1  0
  1 28  1  0
  1 29  1  0
  1 30  1  0
  4 31  1  0
  6 32  1  0
  7 33  1  0
 10 34  1  0
 10 35  1  0
 13 36  1  0
 14 37  1  0
 16 38  1  0
 17 39  1  0
 19 40  1  0
 22 41  1  0
 22 42  1  0
 22 43  1  0
 23 44  1  0
 24 45  1  0
 25 46  1  0
 27 47  1  0
M  END

Synonyms

Value	Source
C.I. 75300	ChEBI
C.I. natural yellow 3	ChEBI
Diferuloylmethane	ChEBI
e 100	ChEBI
Kacha haldi	ChEBI
Natural yellow 3	ChEBI
Turmeric yellow	ChEBI
Yellow, turmeric	MeSH
1,7-Bis(4-hydroxy-3-methoxyphenyl)-1,6-heptadiene-3,5-dione	HMDB
1,7-Bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione	HMDB
1,9-Bis(4-hydroxy-3-methoxyphenyl)-2,7-nonadiene-4,6-dione	HMDB
CI natural yellow 3	HMDB
Cucurmin	HMDB
Curcuma	HMDB
Curcumin I	HMDB
Diferaloylmethane	HMDB
Gelbwurz	HMDB
Golden seal	HMDB
Haidr	HMDB
Halad	HMDB
Haldar	HMDB
Halud	HMDB
Hydrastis	HMDB
Merita earth	HMDB
Orange root	HMDB
Safran d'inde	HMDB
Souchet	HMDB
Terra merita	HMDB
Tumeric yellow	HMDB
Turmeric	HMDB
Turmeric (>98% curcurmin)	HMDB
Turmeric oleoresin (79%-85% curcumin)	HMDB
Yellow ginger	HMDB
Yellow puccoon	HMDB
Yellow root	HMDB
yo-Kin	HMDB

Molecular Formula

C₂₁H₂₀O₆

Average Mass

368.3799

Monoisotopic Mass

368.125988372

IUPAC Name

(1E,6E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione

Traditional Name

curcumin

CAS Registry Number

Not Available

SMILES

COC1=CC(\C=C\C(=O)CC(=O)\C=C\C2=CC(OC)=C(O)C=C2)=CC=C1O

InChI Identifier

InChI=1S/C21H20O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-12,24-25H,13H2,1-2H3/b7-3+,8-4+

InChI Key

VFLDPWHFBUODDF-FCXRPNKRSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as curcuminoids. These are aromatic compounds containing a curcumin moiety, which is composed of two aryl buten-2-one (feruloyl) chromophores joined by a methylene group.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Diarylheptanoids

Sub Class

Linear diarylheptanoids

Direct Parent

Curcuminoids

Alternative Parents

Substituents

Curcumin
Hydroxycinnamic acid or derivatives
Methoxyphenol
Anisole
Phenoxy compound
Phenol ether
Styrene
Methoxybenzene
Phenol
1,3-diketone
Alkyl aryl ether
1-hydroxy-2-unsubstituted benzenoid
Benzenoid
1,3-dicarbonyl compound
Monocyclic benzene moiety
Acryloyl-group
Alpha,beta-unsaturated ketone
Enone
Ketone
Ether
Organooxygen compound
Carbonyl group
Hydrocarbon derivative
Organic oxide
Organic oxygen compound
Aromatic homomonocyclic compound

Molecular Framework

Aromatic homomonocyclic compounds

External Descriptors

aromatic ether (CHEBI:3962 )
enone (CHEBI:3962 )
polyphenol (CHEBI:3962 )
beta-diketone (CHEBI:3962 )
diarylheptanoid (CHEBI:3962 )

Functional Ontology

Not Available

Physical Properties

State

Expected Solid

Predicted Properties

Property	Value	Source
Water Solubility	0.0058 g/L	ALOGPS
logP	3.62	ALOGPS
logP	4.12	ChemAxon
logS	-4.8	ALOGPS
pKa (Strongest Acidic)	9.06	ChemAxon
pKa (Strongest Basic)	-4.4	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	93.06 Å²	ChemAxon
Rotatable Bond Count	8	ChemAxon
Refractivity	103.81 m³·mol⁻¹	ChemAxon
Polarizability	38.12 Å³	ChemAxon
Number of Rings	2	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 - EI-B (Non-derivatized)	splash10-0fbc-0923000000-107f42bbc825be91449b	2017-09-12	View Spectrum
GC-MS	GC-MS Spectrum - EI-B (Non-derivatized)	splash10-0fbc-0923000000-107f42bbc825be91449b	2018-05-18	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	splash10-004i-0902000000-a583c69443735ecee34d	2017-09-01	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (2 TMS) - 70eV, Positive	splash10-006t-3090600000-d97f58b9779a3d4c58d5	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-ESI-ITTOF , negative	splash10-0600-0920000000-c006d38848959c621ec5	2017-09-14	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QTOF , negative	splash10-014i-0982000000-2c508f0e4a39ae290728	2017-09-14	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QTOF , negative	splash10-00di-0950000000-af821cd7589af1e24d16	2017-09-14	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QTOF , negative	splash10-0fk9-0981000000-e4da18f81a545b08874b	2017-09-14	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - , positive	splash10-002b-2920000000-3c3aa8613bf16651cdf5	2017-09-14	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 20V, Negative	splash10-000t-0911000000-abf0df68155c943697d1	2021-09-20	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 40V, Negative	splash10-001i-0900000000-0a0213a836a78f6e54cd	2021-09-20	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 10V, Positive	splash10-03k9-0169000000-ba031996da79b96e1951	2021-09-20	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 40V, Positive	splash10-004r-0960000000-f8dd0033b656ce57faaa	2021-09-20	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 20V, Positive	splash10-00di-0291000000-2396d815134514f2f735	2021-09-20	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 10V, Negative	splash10-014j-0982000000-9cbccf58679bdd2133ef	2021-09-20	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-014i-0209000000-f995da101a08357914b0	2016-08-03	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-004i-0913000000-6bece31c8c8078c2fda4	2016-08-03	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-004j-1900000000-6706d488783638730883	2016-08-03	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-014i-0109000000-3cbd5e4d9320bc54c318	2016-08-03	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-014i-0729000000-ae0fe93ebdfbeed7cc4f	2016-08-03	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-004v-0914000000-72385474a47d42818f05	2016-08-03	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-014i-0419000000-9ca31d2513afa0489fab	2021-09-22	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-00ls-0924000000-a7bc7daf4e9622a19a4b	2021-09-22	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-008j-0922000000-5ce00b7393b9b7b00d5b	2021-09-22	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-016r-0609000000-79fd92244350d542a9f0	2021-09-22	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-0171-0955000000-d16b5d995679749aff17	2021-09-22	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-002k-1943000000-404ab5fc28a3d651940e	2021-09-22	View Spectrum

Biological Properties

Cellular Locations

Membrane

Biospecimen Locations

Blood

Tissue Locations

Not Available

Associated OMIM IDs

114500 (Colorectal cancer)
610247 (Eosinophilic esophagitis)

Human Proteins and Enzymes

Protein ID	Protein Name	Protein Type	Uniprot ID	Species

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

Microbial Sources

Superkingdom/Kingdom	Phylum	Total species	Hosts and Body Sites	Microbial Links
Bacteria	Proteobacteria	1	Human ; Human feces; Human feces; pleural fluid plaque; bal; Human stool	Unknown

Exposure Sources

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

Source Type	Activity	Data Source	Reference
Not Available	Antioxidant	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
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 Blood	Detected and Quantified	0.17	0.013			uM	Adult (>18 years old)	Both	Normal	HMDB	12450549

External Links

HMDB ID

HMDB0002269

DrugBank ID

DB11672

Phenol Explorer Compound ID

FooDB ID

KNApSAcK ID

Chemspider ID

KEGG Compound ID

BioCyc ID

BiGG ID

Not Available

Wikipedia Link

Curcumin

METLIN ID

Not Available

PubChem Compound

969516

PDB ID

Not Available

ChEBI ID

3962

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

General References

Maheshwari RK, Singh AK, Gaddipati J, Srimal RC: Multiple biological activities of curcumin: a short review. Life Sci. 2006 Mar 27;78(18):2081-7. doi: 10.1016/j.lfs.2005.12.007. Epub 2006 Jan 18. [PubMed:16413584 ]
Singh S, Khar A: Biological effects of curcumin and its role in cancer chemoprevention and therapy. Anticancer Agents Med Chem. 2006 May;6(3):259-70. doi: 10.2174/187152006776930918. [PubMed:16712454 ]

Showing metabocard for curcumin (MMDBc0031786)

MOL for #<Metabolite:0x00007fdb50b58b90>

3D MOL for #<Metabolite:0x00007fdb50b58b90>

3D SDF for #<Metabolite:0x00007fdb50b58b90>

3D-SDF for #<Metabolite:0x00007fdb50b58b90>

PDB for #<Metabolite:0x00007fdb50b58b90>

3D PDB for #<Metabolite:0x00007fdb50b58b90>

SMILES for #<Metabolite:0x00007fdb50b58b90>

INCHI for #<Metabolite:0x00007fdb50b58b90>

Structure for #<Metabolite:0x00007fdb50b58b90>

3D Structure for #<Metabolite:0x00007fdb50b58b90>