MiMeDB: Showing metabocard for 2-decaprenyl-6-methoxyphenol (MMDBc0013263)

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2021-05-15 04:36:24 UTC

Update Date

2024-04-30 19:34:50 UTC

Metabolite ID

MMDBc0013263

Metabolite Identification

Common Name

2-decaprenyl-6-methoxyphenol

Description

2-Decaprenyl-6-methoxyphenol belongs to the class of organic compounds known as polyprenylphenols. Polyprenylphenols are compounds containing a polyisoprene chain attached to a phenol group. 2-Decaprenyl-6-methoxyphenol is an extremely weak basic (essentially neutral) compound (based on its pKa).

Structure

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


  Mrv0541 05091314132D          

 59 59  0  0  0  0            999 V2000
   28.5788    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.8644    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0065    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.1486    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2907    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4328    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5749    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7171    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.4354    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.5775    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7197    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8618    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0039    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1460    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.1499    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.7210    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2920    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.8631    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.4341    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0052    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5762    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1473    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7184    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2894    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8605    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4315    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0026    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.8644    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0065    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.1486    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2907    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4328    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5749    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7171    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 23 13  1  0  0  0  0
 24 13  1  0  0  0  0
 25 14  1  0  0  0  0
 26 14  1  0  0  0  0
 27 15  1  0  0  0  0
 28 15  1  0  0  0  0
 29 16  1  0  0  0  0
 30 16  1  0  0  0  0
 31 17  1  0  0  0  0
 32 17  1  0  0  0  0
 33 18  1  0  0  0  0
 34 18  1  0  0  0  0
 35 19  1  0  0  0  0
 36 19  1  0  0  0  0
 37 20  1  0  0  0  0
 38 20  1  0  0  0  0
 39 21  1  0  0  0  0
 40 21  1  0  0  0  0
 41 22  2  0  0  0  0
 42 22  1  0  0  0  0
 44 43  1  0  0  0  0
 45  1  1  0  0  0  0
 45  2  1  0  0  0  0
 45 23  2  0  0  0  0
 46  3  1  0  0  0  0
 46 24  1  0  0  0  0
 46 25  2  0  0  0  0
 47  4  1  0  0  0  0
 47 26  1  0  0  0  0
 47 27  2  0  0  0  0
 48  5  1  0  0  0  0
 48 28  1  0  0  0  0
 48 29  2  0  0  0  0
 49  6  1  0  0  0  0
 49 30  1  0  0  0  0
 49 31  2  0  0  0  0
 50  7  1  0  0  0  0
 50 32  1  0  0  0  0
 50 33  2  0  0  0  0
 51  8  1  0  0  0  0
 51 34  1  0  0  0  0
 51 35  2  0  0  0  0
 52  9  1  0  0  0  0
 52 36  1  0  0  0  0
 52 37  2  0  0  0  0
 53 10  1  0  0  0  0
 53 38  1  0  0  0  0
 53 39  2  0  0  0  0
 54 11  1  0  0  0  0
 54 40  1  0  0  0  0
 54 43  2  0  0  0  0
 55 41  1  0  0  0  0
 55 44  1  0  0  0  0
 56 42  2  0  0  0  0
 57 55  2  0  0  0  0
 57 56  1  0  0  0  0
 58 57  1  0  0  0  0
 59 12  1  0  0  0  0
 59 56  1  0  0  0  0
M  END

HMDB0060250
     RDKit          3D
2-Decaprenyl-6-methoxyphenol
147147  0  0  0  0  0  0  0  0999 V2000
   13.4565   -6.0874    0.2977 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4507   -5.3347    0.9916 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8013   -4.1483    1.5970 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1197   -3.6694    1.5422 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3954   -2.4733    2.1734 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4637   -1.7279    2.8477 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1516   -2.2003    2.9040 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1458   -1.4773    3.6279 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1175   -0.7072    2.9789 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8896   -0.5220    1.7087 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7012   -1.1067    0.6131 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7479    0.3531    1.3034 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0100    0.9579    2.4725 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9120    1.7925    1.8389 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9596    3.1188    1.8970 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1303    3.7541    2.6074 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9423    4.0245    1.3099 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7694    3.3350    0.6972 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8592    4.3126    0.0107 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4470    4.1096   -1.2259 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9717    2.8177   -1.8464 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6527    5.0337   -2.0573 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2993    4.4952   -2.3908 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2597    3.1547   -2.9370 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0407    2.8241   -4.2083 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8184    3.8674   -5.2052 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9666    1.3468   -4.5320 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3693    1.0491   -5.2069 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4875   -0.4474   -5.3435 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6260   -1.0669   -4.9545 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6725   -0.1354   -4.4260 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7727   -2.5410   -5.0077 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0485   -3.0985   -3.6144 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0090   -2.7549   -2.6461 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2915   -2.0674   -1.5364 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6712   -1.6191   -1.2196 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1769   -1.7503   -0.6168 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3898   -2.2448    0.7667 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5460   -1.6165    1.4373 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4842   -2.3250    2.0341 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4829   -3.7897    2.1059 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6323   -1.5506    2.5970 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9343   -2.0104    1.9965 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0739   -1.1449    2.4651 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8639   -0.5595    1.5488 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5092   -0.8476    0.1068 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9807    0.3426    1.8107 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3068   -0.2168    1.3013 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3437    0.7893    1.5319 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.3604    0.6365    2.3577 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.5754   -0.5824    3.1595 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.3468    1.7477    2.4695 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.7341    1.2920    2.1323 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.8175    0.7355    0.7668 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.6278    1.2838   -0.1296 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.4523    2.4591    0.2409 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.7248    0.7063   -1.5102 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8859   -3.3903    2.2746 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5615   -3.8756    2.3272 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0053   -6.9725   -0.1971 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.1543   -6.4202    1.1167 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.9883   -5.4445   -0.4330 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.8587   -4.2620    1.0086 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.4494   -2.1559    2.0874 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7617   -0.8009    3.3183 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6458   -2.1373    4.4213 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7070   -0.7353    4.3080 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4056   -0.1846    3.6598 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5046   -0.4462   -0.3013 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3346   -2.0969    0.2747 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7808   -1.0148    0.7465 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0360   -0.2772    0.7400 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0577    1.1748    0.6138 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4855    0.1341    3.0246 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5944    1.6211    3.0932 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0882    1.3290    1.3383 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0942    3.3982    2.2306 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0889    4.8594    2.5080 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0266    3.4525    3.6865 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6284    4.7188    2.1500 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4252    4.7022    0.5462 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0868    2.5184    0.0376 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1997    2.8519    1.5283 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5324    5.1979    0.5271 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0828    2.9299   -1.9016 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6348    2.7968   -2.8981 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6274    1.9405   -1.2956 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5990    6.0462   -1.5926 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2066    5.1779   -3.0200 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7605    5.2486   -3.0253 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6662    4.4775   -1.4461 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4178    2.2815   -2.2428 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1321    4.6799   -4.8851 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3266    3.4072   -6.1016 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7952    4.2694   -5.5787 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7736    1.0600   -5.2259 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0195    0.7226   -3.6408 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3878    1.5137   -6.2205 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1866    1.4557   -4.6253 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3204   -1.0282   -5.7451 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4292    0.3117   -3.4600 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9341    0.6373   -5.2045 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6013   -0.7607   -4.3162 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6632   -2.8262   -5.6399 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.0044   -4.2401   -3.7001 H   0  0  0  0  0  0  0  0  0  0  0  0
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M  END


  Mrv0541 05091314132D          

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M  END
> <DATABASE_ID>
MMDBc0013263

> <DATABASE_NAME>
MIME

> <SMILES>
COC1=CC=CC(C\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)=C1O

> <INCHI_IDENTIFIER>
InChI=1S/C57H88O2/c1-45(2)23-13-24-46(3)25-14-26-47(4)27-15-28-48(5)29-16-30-49(6)31-17-32-50(7)33-18-34-51(8)35-19-36-52(9)37-20-38-53(10)39-21-40-54(11)43-44-55-41-22-42-56(59-12)57(55)58/h22-23,25,27,29,31,33,35,37,39,41-43,58H,13-21,24,26,28,30,32,34,36,38,40,44H2,1-12H3/b46-25+,47-27+,48-29+,49-31+,50-33+,51-35+,52-37+,53-39+,54-43+

> <INCHI_KEY>
FYLLWSGFAAQKHU-GBBROCKZSA-N

> <FORMULA>
C57H88O2

> <MOLECULAR_WEIGHT>
805.3074

> <EXACT_MASS>
804.67843206

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_AVERAGE_POLARIZABILITY>
106.00746733938111

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-[(2E,6E,10E,14E,18E,22E,26E,30E,34E)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaen-1-yl]-6-methoxyphenol

> <ALOGPS_LOGP>
10.16

> <JCHEM_LOGP>
18.178004702999996

> <ALOGPS_LOGS>
-6.62

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
9.7884599250942

> <JCHEM_PKA_STRONGEST_BASIC>
-4.892153646445838

> <JCHEM_POLAR_SURFACE_AREA>
29.46

> <JCHEM_REFRACTIVITY>
272.96829999999994

> <JCHEM_ROTATABLE_BOND_COUNT>
30

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.93e-04 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-decaprenyl-6-methoxyphenol

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0060250
     RDKit          3D
2-Decaprenyl-6-methoxyphenol
147147  0  0  0  0  0  0  0  0999 V2000
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M  END

HEADER    PROTEIN                                 09-MAY-13   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   09-MAY-13         0                                  
HETATM    1  C   UNK     0      53.347   4.620   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      52.014   2.310   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      46.679   2.310   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      41.344   2.310   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      36.009   2.310   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      30.675   2.310   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      25.340   2.310   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      20.005   2.310   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      14.671   2.310   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       9.336   2.310   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       4.001   2.310   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -1.334  -2.310   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      49.346   3.850   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      44.011   3.850   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      38.677   3.850   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      33.342   3.850   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      28.007   3.850   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      22.673   3.850   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      17.338   3.850   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      12.003   3.850   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       6.668   3.850   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       2.667   0.000   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      50.680   4.620   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      48.013   4.620   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      45.345   4.620   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      42.678   4.620   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      40.010   4.620   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      37.343   4.620   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      34.676   4.620   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      32.008   4.620   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      29.341   4.620   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      26.674   4.620   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      24.006   4.620   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      21.339   4.620   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      18.672   4.620   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      16.004   4.620   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      13.337   4.620   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0      10.669   4.620   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0       8.002   4.620   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0       5.335   4.620   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0       2.667   1.540   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0       2.667   4.620   0.000  0.00  0.00           C+0
HETATM   44  C   UNK     0       1.334   3.850   0.000  0.00  0.00           C+0
HETATM   45  C   UNK     0      52.014   3.850   0.000  0.00  0.00           C+0
HETATM   46  C   UNK     0      46.679   3.850   0.000  0.00  0.00           C+0
HETATM   47  C   UNK     0      41.344   3.850   0.000  0.00  0.00           C+0
HETATM   48  C   UNK     0      36.009   3.850   0.000  0.00  0.00           C+0
HETATM   49  C   UNK     0      30.675   3.850   0.000  0.00  0.00           C+0
HETATM   50  C   UNK     0      25.340   3.850   0.000  0.00  0.00           C+0
HETATM   51  C   UNK     0      20.005   3.850   0.000  0.00  0.00           C+0
HETATM   52  C   UNK     0      14.671   3.850   0.000  0.00  0.00           C+0
HETATM   53  C   UNK     0       9.336   3.850   0.000  0.00  0.00           C+0
HETATM   54  C   UNK     0       4.001   3.850   0.000  0.00  0.00           C+0
HETATM   55  C   UNK     0       1.334   2.310   0.000  0.00  0.00           C+0
HETATM   56  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM   57  C   UNK     0       0.000   1.540   0.000  0.00  0.00           C+0
HETATM   58  O   UNK     0      -1.334   2.310   0.000  0.00  0.00           O+0
HETATM   59  O   UNK     0      -1.334  -0.770   0.000  0.00  0.00           O+0
CONECT    1   45                                                            
CONECT    2   45                                                            
CONECT    3   46                                                            
CONECT    4   47                                                            
CONECT    5   48                                                            
CONECT    6   49                                                            
CONECT    7   50                                                            
CONECT    8   51                                                            
CONECT    9   52                                                            
CONECT   10   53                                                            
CONECT   11   54                                                            
CONECT   12   59                                                            
CONECT   13   23   24                                                       
CONECT   14   25   26                                                       
CONECT   15   27   28                                                       
CONECT   16   29   30                                                       
CONECT   17   31   32                                                       
CONECT   18   33   34                                                       
CONECT   19   35   36                                                       
CONECT   20   37   38                                                       
CONECT   21   39   40                                                       
CONECT   22   41   42                                                       
CONECT   23   13   45                                                       
CONECT   24   13   46                                                       
CONECT   25   14   46                                                       
CONECT   26   14   47                                                       
CONECT   27   15   47                                                       
CONECT   28   15   48                                                       
CONECT   29   16   48                                                       
CONECT   30   16   49                                                       
CONECT   31   17   49                                                       
CONECT   32   17   50                                                       
CONECT   33   18   50                                                       
CONECT   34   18   51                                                       
CONECT   35   19   51                                                       
CONECT   36   19   52                                                       
CONECT   37   20   52                                                       
CONECT   38   20   53                                                       
CONECT   39   21   53                                                       
CONECT   40   21   54                                                       
CONECT   41   22   55                                                       
CONECT   42   22   56                                                       
CONECT   43   44   54                                                       
CONECT   44   43   55                                                       
CONECT   45    1    2   23                                                  
CONECT   46    3   24   25                                                  
CONECT   47    4   26   27                                                  
CONECT   48    5   28   29                                                  
CONECT   49    6   30   31                                                  
CONECT   50    7   32   33                                                  
CONECT   51    8   34   35                                                  
CONECT   52    9   36   37                                                  
CONECT   53   10   38   39                                                  
CONECT   54   11   40   43                                                  
CONECT   55   41   44   57                                                  
CONECT   56   42   57   59                                                  
CONECT   57   55   56   58                                                  
CONECT   58   57                                                            
CONECT   59   12   56                                                       
MASTER        0    0    0    0    0    0    0    0   59    0  118    0
END

COMPND    HMDB0060250
HETATM    1  C1  UNL     1      13.457  -6.087   0.298  1.00  0.00           C  
HETATM    2  O1  UNL     1      12.451  -5.335   0.992  1.00  0.00           O  
HETATM    3  C2  UNL     1      12.801  -4.148   1.597  1.00  0.00           C  
HETATM    4  C3  UNL     1      14.120  -3.669   1.542  1.00  0.00           C  
HETATM    5  C4  UNL     1      14.395  -2.473   2.173  1.00  0.00           C  
HETATM    6  C5  UNL     1      13.464  -1.728   2.848  1.00  0.00           C  
HETATM    7  C6  UNL     1      12.152  -2.200   2.904  1.00  0.00           C  
HETATM    8  C7  UNL     1      11.146  -1.477   3.628  1.00  0.00           C  
HETATM    9  C8  UNL     1      10.117  -0.707   2.979  1.00  0.00           C  
HETATM   10  C9  UNL     1       9.890  -0.522   1.709  1.00  0.00           C  
HETATM   11  C10 UNL     1      10.701  -1.107   0.613  1.00  0.00           C  
HETATM   12  C11 UNL     1       8.748   0.353   1.303  1.00  0.00           C  
HETATM   13  C12 UNL     1       8.010   0.958   2.473  1.00  0.00           C  
HETATM   14  C13 UNL     1       6.912   1.792   1.839  1.00  0.00           C  
HETATM   15  C14 UNL     1       6.960   3.119   1.897  1.00  0.00           C  
HETATM   16  C15 UNL     1       8.130   3.754   2.607  1.00  0.00           C  
HETATM   17  C16 UNL     1       5.942   4.025   1.310  1.00  0.00           C  
HETATM   18  C17 UNL     1       4.769   3.335   0.697  1.00  0.00           C  
HETATM   19  C18 UNL     1       3.859   4.313   0.011  1.00  0.00           C  
HETATM   20  C19 UNL     1       3.447   4.110  -1.226  1.00  0.00           C  
HETATM   21  C20 UNL     1       3.972   2.818  -1.846  1.00  0.00           C  
HETATM   22  C21 UNL     1       2.653   5.034  -2.057  1.00  0.00           C  
HETATM   23  C22 UNL     1       1.299   4.495  -2.391  1.00  0.00           C  
HETATM   24  C23 UNL     1       1.260   3.155  -2.937  1.00  0.00           C  
HETATM   25  C24 UNL     1       1.041   2.824  -4.208  1.00  0.00           C  
HETATM   26  C25 UNL     1       0.818   3.867  -5.205  1.00  0.00           C  
HETATM   27  C26 UNL     1       0.967   1.347  -4.532  1.00  0.00           C  
HETATM   28  C27 UNL     1      -0.369   1.049  -5.207  1.00  0.00           C  
HETATM   29  C28 UNL     1      -0.488  -0.447  -5.344  1.00  0.00           C  
HETATM   30  C29 UNL     1      -1.626  -1.067  -4.955  1.00  0.00           C  
HETATM   31  C30 UNL     1      -2.673  -0.135  -4.426  1.00  0.00           C  
HETATM   32  C31 UNL     1      -1.773  -2.541  -5.008  1.00  0.00           C  
HETATM   33  C32 UNL     1      -2.048  -3.098  -3.614  1.00  0.00           C  
HETATM   34  C33 UNL     1      -1.009  -2.755  -2.646  1.00  0.00           C  
HETATM   35  C34 UNL     1      -1.291  -2.067  -1.536  1.00  0.00           C  
HETATM   36  C35 UNL     1      -2.671  -1.619  -1.220  1.00  0.00           C  
HETATM   37  C36 UNL     1      -0.177  -1.750  -0.617  1.00  0.00           C  
HETATM   38  C37 UNL     1      -0.390  -2.245   0.767  1.00  0.00           C  
HETATM   39  C38 UNL     1      -1.546  -1.617   1.437  1.00  0.00           C  
HETATM   40  C39 UNL     1      -2.484  -2.325   2.034  1.00  0.00           C  
HETATM   41  C40 UNL     1      -2.483  -3.790   2.106  1.00  0.00           C  
HETATM   42  C41 UNL     1      -3.632  -1.551   2.597  1.00  0.00           C  
HETATM   43  C42 UNL     1      -4.934  -2.010   1.996  1.00  0.00           C  
HETATM   44  C43 UNL     1      -6.074  -1.145   2.465  1.00  0.00           C  
HETATM   45  C44 UNL     1      -6.864  -0.560   1.549  1.00  0.00           C  
HETATM   46  C45 UNL     1      -6.509  -0.848   0.107  1.00  0.00           C  
HETATM   47  C46 UNL     1      -7.981   0.343   1.811  1.00  0.00           C  
HETATM   48  C47 UNL     1      -9.307  -0.217   1.301  1.00  0.00           C  
HETATM   49  C48 UNL     1     -10.344   0.789   1.532  1.00  0.00           C  
HETATM   50  C49 UNL     1     -11.360   0.636   2.358  1.00  0.00           C  
HETATM   51  C50 UNL     1     -11.575  -0.582   3.159  1.00  0.00           C  
HETATM   52  C51 UNL     1     -12.347   1.748   2.469  1.00  0.00           C  
HETATM   53  C52 UNL     1     -13.734   1.292   2.132  1.00  0.00           C  
HETATM   54  C53 UNL     1     -13.817   0.736   0.767  1.00  0.00           C  
HETATM   55  C54 UNL     1     -14.628   1.284  -0.130  1.00  0.00           C  
HETATM   56  C55 UNL     1     -15.452   2.459   0.241  1.00  0.00           C  
HETATM   57  C56 UNL     1     -14.725   0.706  -1.510  1.00  0.00           C  
HETATM   58  C57 UNL     1      11.886  -3.390   2.275  1.00  0.00           C  
HETATM   59  O2  UNL     1      10.562  -3.876   2.327  1.00  0.00           O  
HETATM   60  H1  UNL     1      13.005  -6.973  -0.197  1.00  0.00           H  
HETATM   61  H2  UNL     1      14.154  -6.420   1.117  1.00  0.00           H  
HETATM   62  H3  UNL     1      13.988  -5.445  -0.433  1.00  0.00           H  
HETATM   63  H4  UNL     1      14.859  -4.262   1.009  1.00  0.00           H  
HETATM   64  H5  UNL     1      15.449  -2.156   2.087  1.00  0.00           H  
HETATM   65  H6  UNL     1      13.762  -0.801   3.318  1.00  0.00           H  
HETATM   66  H7  UNL     1      10.646  -2.137   4.421  1.00  0.00           H  
HETATM   67  H8  UNL     1      11.707  -0.735   4.308  1.00  0.00           H  
HETATM   68  H9  UNL     1       9.406  -0.185   3.660  1.00  0.00           H  
HETATM   69  H10 UNL     1      10.505  -0.446  -0.301  1.00  0.00           H  
HETATM   70  H11 UNL     1      10.335  -2.097   0.275  1.00  0.00           H  
HETATM   71  H12 UNL     1      11.781  -1.015   0.747  1.00  0.00           H  
HETATM   72  H13 UNL     1       8.036  -0.277   0.740  1.00  0.00           H  
HETATM   73  H14 UNL     1       9.058   1.175   0.614  1.00  0.00           H  
HETATM   74  H15 UNL     1       7.486   0.134   3.025  1.00  0.00           H  
HETATM   75  H16 UNL     1       8.594   1.621   3.093  1.00  0.00           H  
HETATM   76  H17 UNL     1       6.088   1.329   1.338  1.00  0.00           H  
HETATM   77  H18 UNL     1       9.094   3.398   2.231  1.00  0.00           H  
HETATM   78  H19 UNL     1       8.089   4.859   2.508  1.00  0.00           H  
HETATM   79  H20 UNL     1       8.027   3.453   3.686  1.00  0.00           H  
HETATM   80  H21 UNL     1       5.628   4.719   2.150  1.00  0.00           H  
HETATM   81  H22 UNL     1       6.425   4.702   0.546  1.00  0.00           H  
HETATM   82  H23 UNL     1       5.087   2.518   0.038  1.00  0.00           H  
HETATM   83  H24 UNL     1       4.200   2.852   1.528  1.00  0.00           H  
HETATM   84  H25 UNL     1       3.532   5.198   0.527  1.00  0.00           H  
HETATM   85  H26 UNL     1       5.083   2.930  -1.902  1.00  0.00           H  
HETATM   86  H27 UNL     1       3.635   2.797  -2.898  1.00  0.00           H  
HETATM   87  H28 UNL     1       3.627   1.940  -1.296  1.00  0.00           H  
HETATM   88  H29 UNL     1       2.599   6.046  -1.593  1.00  0.00           H  
HETATM   89  H30 UNL     1       3.207   5.178  -3.020  1.00  0.00           H  
HETATM   90  H31 UNL     1       0.760   5.249  -3.025  1.00  0.00           H  
HETATM   91  H32 UNL     1       0.666   4.477  -1.446  1.00  0.00           H  
HETATM   92  H33 UNL     1       1.418   2.282  -2.243  1.00  0.00           H  
HETATM   93  H34 UNL     1       0.132   4.680  -4.885  1.00  0.00           H  
HETATM   94  H35 UNL     1       0.327   3.407  -6.102  1.00  0.00           H  
HETATM   95  H36 UNL     1       1.795   4.269  -5.579  1.00  0.00           H  
HETATM   96  H37 UNL     1       1.774   1.060  -5.226  1.00  0.00           H  
HETATM   97  H38 UNL     1       1.020   0.723  -3.641  1.00  0.00           H  
HETATM   98  H39 UNL     1      -0.388   1.514  -6.220  1.00  0.00           H  
HETATM   99  H40 UNL     1      -1.187   1.456  -4.625  1.00  0.00           H  
HETATM  100  H41 UNL     1       0.320  -1.028  -5.745  1.00  0.00           H  
HETATM  101  H42 UNL     1      -2.429   0.312  -3.460  1.00  0.00           H  
HETATM  102  H43 UNL     1      -2.934   0.637  -5.204  1.00  0.00           H  
HETATM  103  H44 UNL     1      -3.601  -0.761  -4.316  1.00  0.00           H  
HETATM  104  H45 UNL     1      -2.663  -2.826  -5.640  1.00  0.00           H  
HETATM  105  H46 UNL     1      -0.861  -2.963  -5.449  1.00  0.00           H  
HETATM  106  H47 UNL     1      -2.004  -4.240  -3.700  1.00  0.00           H  
HETATM  107  H48 UNL     1      -3.071  -2.831  -3.340  1.00  0.00           H  
HETATM  108  H49 UNL     1       0.042  -3.052  -2.794  1.00  0.00           H  
HETATM  109  H50 UNL     1      -3.183  -2.459  -0.682  1.00  0.00           H  
HETATM  110  H51 UNL     1      -3.313  -1.404  -2.073  1.00  0.00           H  
HETATM  111  H52 UNL     1      -2.649  -0.675  -0.620  1.00  0.00           H  
HETATM  112  H53 UNL     1       0.799  -2.168  -1.001  1.00  0.00           H  
HETATM  113  H54 UNL     1      -0.043  -0.628  -0.561  1.00  0.00           H  
HETATM  114  H55 UNL     1      -0.525  -3.357   0.705  1.00  0.00           H  
HETATM  115  H56 UNL     1       0.542  -2.003   1.352  1.00  0.00           H  
HETATM  116  H57 UNL     1      -1.599  -0.512   1.444  1.00  0.00           H  
HETATM  117  H58 UNL     1      -1.598  -4.182   2.694  1.00  0.00           H  
HETATM  118  H59 UNL     1      -3.383  -4.201   2.603  1.00  0.00           H  
HETATM  119  H60 UNL     1      -2.343  -4.265   1.097  1.00  0.00           H  
HETATM  120  H61 UNL     1      -3.540  -0.476   2.379  1.00  0.00           H  
HETATM  121  H62 UNL     1      -3.660  -1.638   3.708  1.00  0.00           H  
HETATM  122  H63 UNL     1      -4.884  -2.052   0.910  1.00  0.00           H  
HETATM  123  H64 UNL     1      -5.197  -3.051   2.341  1.00  0.00           H  
HETATM  124  H65 UNL     1      -6.304  -0.954   3.499  1.00  0.00           H  
HETATM  125  H66 UNL     1      -5.509  -0.404  -0.102  1.00  0.00           H  
HETATM  126  H67 UNL     1      -7.214  -0.296  -0.546  1.00  0.00           H  
HETATM  127  H68 UNL     1      -6.601  -1.902  -0.149  1.00  0.00           H  
HETATM  128  H69 UNL     1      -8.132   0.651   2.847  1.00  0.00           H  
HETATM  129  H70 UNL     1      -7.844   1.303   1.220  1.00  0.00           H  
HETATM  130  H71 UNL     1      -9.183  -0.352   0.184  1.00  0.00           H  
HETATM  131  H72 UNL     1      -9.517  -1.214   1.692  1.00  0.00           H  
HETATM  132  H73 UNL     1     -10.257   1.736   0.968  1.00  0.00           H  
HETATM  133  H74 UNL     1     -10.686  -1.194   3.346  1.00  0.00           H  
HETATM  134  H75 UNL     1     -12.310  -1.229   2.592  1.00  0.00           H  
HETATM  135  H76 UNL     1     -12.089  -0.358   4.133  1.00  0.00           H  
HETATM  136  H77 UNL     1     -12.093   2.543   1.724  1.00  0.00           H  
HETATM  137  H78 UNL     1     -12.297   2.229   3.471  1.00  0.00           H  
HETATM  138  H79 UNL     1     -14.447   2.121   2.304  1.00  0.00           H  
HETATM  139  H80 UNL     1     -14.011   0.517   2.896  1.00  0.00           H  
HETATM  140  H81 UNL     1     -13.224  -0.129   0.454  1.00  0.00           H  
HETATM  141  H82 UNL     1     -16.051   2.264   1.161  1.00  0.00           H  
HETATM  142  H83 UNL     1     -16.136   2.729  -0.614  1.00  0.00           H  
HETATM  143  H84 UNL     1     -14.781   3.333   0.341  1.00  0.00           H  
HETATM  144  H85 UNL     1     -13.736   0.657  -2.005  1.00  0.00           H  
HETATM  145  H86 UNL     1     -15.177  -0.318  -1.358  1.00  0.00           H  
HETATM  146  H87 UNL     1     -15.467   1.287  -2.096  1.00  0.00           H  
HETATM  147  H88 UNL     1       9.821  -3.356   2.822  1.00  0.00           H  
CONECT    1    2   60   61   62
CONECT    2    3
CONECT    3    4    4   58
CONECT    4    5   63
CONECT    5    6    6   64
CONECT    6    7   65
CONECT    7    8   58   58
CONECT    8    9   66   67
CONECT    9   10   10   68
CONECT   10   11   12
CONECT   11   69   70   71
CONECT   12   13   72   73
CONECT   13   14   74   75
CONECT   14   15   15   76
CONECT   15   16   17
CONECT   16   77   78   79
CONECT   17   18   80   81
CONECT   18   19   82   83
CONECT   19   20   20   84
CONECT   20   21   22
CONECT   21   85   86   87
CONECT   22   23   88   89
CONECT   23   24   90   91
CONECT   24   25   25   92
CONECT   25   26   27
CONECT   26   93   94   95
CONECT   27   28   96   97
CONECT   28   29   98   99
CONECT   29   30   30  100
CONECT   30   31   32
CONECT   31  101  102  103
CONECT   32   33  104  105
CONECT   33   34  106  107
CONECT   34   35   35  108
CONECT   35   36   37
CONECT   36  109  110  111
CONECT   37   38  112  113
CONECT   38   39  114  115
CONECT   39   40   40  116
CONECT   40   41   42
CONECT   41  117  118  119
CONECT   42   43  120  121
CONECT   43   44  122  123
CONECT   44   45   45  124
CONECT   45   46   47
CONECT   46  125  126  127
CONECT   47   48  128  129
CONECT   48   49  130  131
CONECT   49   50   50  132
CONECT   50   51   52
CONECT   51  133  134  135
CONECT   52   53  136  137
CONECT   53   54  138  139
CONECT   54   55   55  140
CONECT   55   56   57
CONECT   56  141  142  143
CONECT   57  144  145  146
CONECT   58   59
CONECT   59  147
END

HMDB0060250
     RDKit          3D
2-Decaprenyl-6-methoxyphenol
147147  0  0  0  0  0  0  0  0999 V2000
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M  END

Synonyms

Value	Source
2-Methoxy-6-(all-trans-decaprenyl)phenol	ChEBI

Molecular Formula

C₅₇H₈₈O₂

Average Mass

805.3074

Monoisotopic Mass

804.67843206

IUPAC Name

2-[(2E,6E,10E,14E,18E,22E,26E,30E,34E)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaen-1-yl]-6-methoxyphenol

Traditional Name

2-decaprenyl-6-methoxyphenol

CAS Registry Number

Not Available

SMILES

COC1=CC=CC(C\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)=C1O

InChI Identifier

InChI=1S/C57H88O2/c1-45(2)23-13-24-46(3)25-14-26-47(4)27-15-28-48(5)29-16-30-49(6)31-17-32-50(7)33-18-34-51(8)35-19-36-52(9)37-20-38-53(10)39-21-40-54(11)43-44-55-41-22-42-56(59-12)57(55)58/h22-23,25,27,29,31,33,35,37,39,41-43,58H,13-21,24,26,28,30,32,34,36,38,40,44H2,1-12H3/b46-25+,47-27+,48-29+,49-31+,50-33+,51-35+,52-37+,53-39+,54-43+

InChI Key

FYLLWSGFAAQKHU-GBBROCKZSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as polyprenylphenols. Polyprenylphenols are compounds containing a polyisoprene chain attached to a phenol group.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Polyprenylphenols

Direct Parent

Polyprenylphenols

Alternative Parents

Substituents

Polyterpenoid
2-polyprenyl-6-methoxyphenol
Polyprenylphenol
Methoxyphenol
Anisole
Phenoxy compound
Phenol ether
Methoxybenzene
1-hydroxy-4-unsubstituted benzenoid
Phenol
Alkyl aryl ether
Benzenoid
Monocyclic benzene moiety
Ether
Organooxygen compound
Organic oxygen compound
Hydrocarbon derivative
Aromatic homomonocyclic compound

Molecular Framework

Aromatic homomonocyclic compounds

External Descriptors

aromatic ether (CHEBI:50774 )
phenols (CHEBI:50774 )

Functional Ontology

Not Available

Physical Properties

State

Expected Solid

Predicted Properties

Property	Value	Source
Water Solubility	0.00019 g/L	ALOGPS
logP	10.16	ALOGPS
logP	18.18	ChemAxon
logS	-6.6	ALOGPS
pKa (Strongest Acidic)	9.79	ChemAxon
pKa (Strongest Basic)	-4.9	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	2	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	29.46 Å²	ChemAxon
Rotatable Bond Count	30	ChemAxon
Refractivity	272.97 m³·mol⁻¹	ChemAxon
Polarizability	106.01 Å³	ChemAxon
Number of Rings	1	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_1_1) - 70eV, Positive	Not Available	2021-10-19	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-0udi-0000000090-cb4ebbdd954242465f16	2017-10-06	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-0udi-0100000690-39942d3c0a1605497924	2017-10-06	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-053i-1200000900-9a5b709666b9dbc1cec3	2017-10-06	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-0udi-0000000090-26f38fab033569b95ffe	2021-10-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-0zmr-0910000540-1d48865257188840ad7d	2021-10-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-0zfr-0910033140-9c488d7de4dbea96a137	2021-10-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-0a4i-0423223390-132c417bb8c17ece8d57	2017-10-06	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-0170-1849498400-f61f846c67377ad4f265	2017-10-06	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-066s-2697768100-8ced7948576723ea99e7	2017-10-06	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-0awd-2010029420-3b606bce0181451b295d	2021-10-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-00di-2411429100-9a872d687c209238bb3b	2021-10-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-005c-9623821000-da13c970ef238ddbc054	2021-10-12	View Spectrum

Biological Properties

Cellular Locations

Membrane

Biospecimen Locations

Feces

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	Data Source	Reference
MMDBr0000522	2-decaprenyl-6-methoxyphenol	2-Decaprenyl-6-methoxy-1,4-benzoquinone	coenzyme Q6 monooxygenase	VMH	11051212 1965190 7380842
MMDBr0000823	3-methoxy-4-hydroxy-5-all-trans-decaprenylbenzoate	2-decaprenyl-6-methoxyphenol	Not Available	VMH	11051212 7380842
MMDBr0010440	2-decaprenyl-6-methoxyphenol	2-methoxy-6-all trans-decaprenyl-2-methoxy-1,4-benzoquinol	coenzyme Q6 monooxygenase	VMH	30371894

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		Metabolic reconstruction

Exposure Sources

Source Type	Species	Data Source	Reference
Animal	Laminaria	FooDB	Manually Annotated
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
Plant	Eruca vesicaria ssp. sativa	FooDB	Manually Annotated
Plant	Prunus cerasus	FooDB	Manually Annotated
Plant	Rosmarinus officinalis	FooDB	Manually Annotated
Plant	Artocarpus altilis	FooDB	Manually Annotated
Plant	Citrus x paradisi	FooDB	Manually Annotated
Plant	Metroxylon sagu	FooDB	Manually Annotated
Plant	Vigna unguiculata	FooDB	Manually Annotated
Plant	Cynara scolymus	FooDB	Manually Annotated
Plant	Cyathea	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	Vitis labrusca	FooDB	Manually Annotated
Plant	Phytolacca americana	FooDB	Manually Annotated
Plant	Grifola frondosa	FooDB	Manually Annotated
Plant	Helianthus tuberosus	FooDB	Manually Annotated
Plant	Tetragonia tetragonioides	FooDB	Manually Annotated
Plant	Artemisia vulgaris	FooDB	Manually Annotated
Plant	Cucumis metuliferus	FooDB	Manually Annotated
Plant	Myrica	FooDB	Manually Annotated
Plant	Nephelium lappaceum	FooDB	Manually Annotated
Plant	Castanea crenata	FooDB	Manually Annotated
Plant		FooDB	Manually Annotated
Plant	Corylus avellana	FooDB	Manually Annotated
Plant	Litchi chinensis	FooDB	Manually Annotated
Plant	Juglans regia	FooDB	Manually Annotated
Plant	Quercus	FooDB	Manually Annotated
Plant	Vaccinium angustifolium	FooDB	Manually Annotated
Plant	Trigonella foenum-graecum	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	Levisticum officinale	FooDB	Manually Annotated
Plant	Asparagus officinalis	FooDB	Manually Annotated
Plant	Chamerion angustifolium	FooDB	Manually Annotated
Plant	Vaccinium elliottii	FooDB	Manually Annotated
Plant	Matricaria recutita	FooDB	Manually Annotated
Plant	Pimpinella anisum	FooDB	Manually Annotated
Plant	Artemisia dracunculus	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	Pistacia vera	FooDB	Manually Annotated
Plant	Cynara cardunculus	FooDB	Manually Annotated
Plant	Vitellaria paradoxa	FooDB	Manually Annotated
Plant	Pangium edule	FooDB	Manually Annotated
Plant	Malus pumila	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	Hedysarum alpinum	FooDB	Manually Annotated
Plant	Diospyros	FooDB	Manually Annotated
Plant	Vigna aconitifolia	FooDB	Manually Annotated
Plant	Amaranthus	FooDB	Manually Annotated
Plant	Gossypium	FooDB	Manually Annotated
Plant		FooDB	Manually Annotated
Plant	Beta vulgaris	FooDB	Manually Annotated
Plant	Mammea americana	FooDB	Manually Annotated
Plant	Brassica alboglabra	FooDB	Manually Annotated
Plant	Apium graveolens var. dulce	FooDB	Manually Annotated
Plant	Annona squamosa	FooDB	Manually Annotated
Plant	Vitis	FooDB	Manually Annotated
Plant	Xanthosoma sagittifolium	FooDB	Manually Annotated
Plant	Basella alba	FooDB	Manually Annotated
Plant	Cucumis sativus	FooDB	Manually Annotated
Plant	Capsicum baccatum var. baccatum	FooDB	Manually Annotated
Plant	Citrus latifolia	FooDB	Manually Annotated
Plant	Carya illinoinensis	FooDB	Manually Annotated
Plant	Byrsonima crassifolia	FooDB	Manually Annotated
Plant	Capsicum pubescens	FooDB	Manually Annotated
Plant	Ribes rubrum	FooDB	Manually Annotated
Plant	Crateva religiosa	FooDB	Manually Annotated
Plant	Vitis aestivalis	FooDB	Manually Annotated
Plant	Cinnamomum aromaticum	FooDB	Manually Annotated
Plant	Eugenia javanica	FooDB	Manually Annotated
Plant		FooDB	Manually Annotated
Plant	Mentha arvensis	FooDB	Manually Annotated
Plant	Brassica rapa var. chinensis	FooDB	Manually Annotated
Plant	Vaccinium stamineum	FooDB	Manually Annotated
Plant	Pastinaca sativa	FooDB	Manually Annotated
Plant	Portulaca oleracea	FooDB	Manually Annotated
Plant	Ipomoea batatas	FooDB	Manually Annotated
Plant	Solanum lycopersicum var. cerasiforme	FooDB	Manually Annotated
Plant	Cucurbita maxima	FooDB	Manually Annotated
Plant	Chenopodium album	FooDB	Manually Annotated
Plant	Psophocarpus tetragonolobus	FooDB	Manually Annotated
Plant	Allium ampeloprasum	FooDB	Manually Annotated
Plant	Brassica oleracea	FooDB	Manually Annotated
Plant	Sechium edule	FooDB	Manually Annotated
Plant	Grataegosorbus mitschurinii	FooDB	Manually Annotated
Plant	Lactuca sativa l. var. longifolia	FooDB	Manually Annotated
Plant	Origanum x majoricum	FooDB	Manually Annotated
Plant	Diospyros virginiana	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	Curcuma longa	FooDB	Manually Annotated
Plant	Rubus chamaemorus	FooDB	Manually Annotated
Plant	Elettaria cardamomum	FooDB	Manually Annotated
Plant	Amelanchier alnifolia	FooDB	Manually Annotated
Plant	Citrullus lanatus var. fistulosus	FooDB	Manually Annotated
Plant	Ananas comosus	FooDB	Manually Annotated
Plant	Persea americana	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	Lathyrus sativus	FooDB	Manually Annotated
Plant	Dioscorea pentaphylla	FooDB	Manually Annotated
Plant	Allium tuberosum	FooDB	Manually Annotated
Plant	Corchorus olitorius	FooDB	Manually Annotated
Plant	Juglans nigra	FooDB	Manually Annotated
Plant	Cinnamomum verum	FooDB	Manually Annotated
Plant	Gaylussacia baccata	FooDB	Manually Annotated
Plant	Glycine max	FooDB	Manually Annotated
Plant	Petasites japonicus	FooDB	Manually Annotated
Plant	Prunus tomentosa	FooDB	Manually Annotated
Plant	Mentha x piperita	FooDB	Manually Annotated
Plant	Ocimum basilicum	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	Brassica oleracea var. conica	FooDB	Manually Annotated
Plant	Nelumbo	FooDB	Manually Annotated
Plant	Sesamum orientale	FooDB	Manually Annotated
Plant	Annona cherimola	FooDB	Manually Annotated
Plant	Brassica rapa var. pekinensis	FooDB	Manually Annotated
Plant	Lippia graveolens	FooDB	Manually Annotated
Plant	Brassica rapa	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	Musa acuminata	FooDB	Manually Annotated
Plant	Citrullus lanatus	FooDB	Manually Annotated
Plant	Linum usitatissimum	FooDB	Manually Annotated
Plant	Macadamia tetraphylla	FooDB	Manually Annotated
Plant	Vigna unguiculata ssp. unguiculata	FooDB	Manually Annotated
Plant	Phyllostachys edulis	FooDB	Manually Annotated
Plant	Lagenaria siceraria	FooDB	Manually Annotated
Plant	Prunus domestica	FooDB	Manually Annotated
Plant	Prunus armeniaca	FooDB	Manually Annotated
Plant	Carum carvi	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	Coriandrum sativum	FooDB	Manually Annotated
Plant	Nelumbo nucifera	FooDB	Manually Annotated
Plant	Bertholletia excelsa	FooDB	Manually Annotated
Plant	Brassica oleracea var. costata	FooDB	Manually Annotated
Plant	Panax	FooDB	Manually Annotated
Plant	Ceratonia siliqua	FooDB	Manually Annotated
Plant	Cymbopogon citratus	FooDB	Manually Annotated
Plant	Luffa aegyptiaca	FooDB	Manually Annotated
Plant	Rubus occidentalis	FooDB	Manually Annotated
Plant	Vigna umbellata	FooDB	Manually Annotated
Plant	Anacardium occidentale	FooDB	Manually Annotated
Plant	Carthamus tinctorius	FooDB	Manually Annotated
Plant	Cicer arietinum	FooDB	Manually Annotated
Plant	Allium fistulosum	FooDB	Manually Annotated
Plant	Capsicum	FooDB	Manually Annotated
Plant	Lupinus	FooDB	Manually Annotated
Plant	Tilia cordata	FooDB	Manually Annotated
Plant	Vaccinium alaskaense	FooDB	Manually Annotated
Plant	Prunus persica var. nucipersica	FooDB	Manually Annotated
Plant	Camellia sinensis	FooDB	Manually Annotated
Plant	Durio zibethinus	FooDB	Manually Annotated
Plant	Eriobotrya japonica	FooDB	Manually Annotated
Plant	Solanum lycopersicum var. lycopersicum	FooDB	Manually Annotated
Plant	Brassica napus var. pabularia	FooDB	Manually Annotated
Plant	Ribes glandulosum	FooDB	Manually Annotated
Plant	Oenothera biennis	FooDB	Manually Annotated
Plant	Diospyros kaki	FooDB	Manually Annotated
Plant	Verbena officinalis	FooDB	Manually Annotated
Plant	Virola surinamensis	FooDB	Manually Annotated
Plant	Vaccinium oxycoccos	FooDB	Manually Annotated
Plant	Theobroma cacao	FooDB	Manually Annotated
Plant	Phaseolus vulgaris	FooDB	Manually Annotated
Plant	Rumex acetosa	FooDB	Manually Annotated
Plant	Daucus carota ssp. sativus	FooDB	Manually Annotated
Plant	Vaccinium parvifolium	FooDB	Manually Annotated
Plant	Syzygium aromaticum	FooDB	Manually Annotated
Plant	Aloysia triphylla	FooDB	Manually Annotated
Plant	Pyrus pyrifolia	FooDB	Manually Annotated
Plant	Vaccinium myrtillus	FooDB	Manually Annotated
Plant	Capsicum chinense	FooDB	Manually Annotated
Plant	Brassica oleracea var. capitata	FooDB	Manually Annotated
Plant	Vicia faba	FooDB	Manually Annotated
Plant	Vaccinium reticulatum	FooDB	Manually Annotated
Plant	Solanum quitoense	FooDB	Manually Annotated
Plant	Ginkgo biloba	FooDB	Manually Annotated
Plant	Theobroma grandiflorum	FooDB	Manually Annotated
Plant	Satureja montana	FooDB	Manually Annotated
Plant	Vigna unguiculata ssp. cylindrica	FooDB	Manually Annotated
Plant	Flammulina velutipes	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	Origanum onites	FooDB	Manually Annotated
Plant	Piper nigrum	FooDB	Manually Annotated
Plant	Capsicum annuum	FooDB	Manually Annotated
Plant	Origanum vulgare	FooDB	Manually Annotated
Plant	Viburnum edule	FooDB	Manually Annotated
Plant	Dioscorea	FooDB	Manually Annotated
Plant	Brassica oleracea var. italica	FooDB	Manually Annotated
Plant	Vaccinium uliginosum	FooDB	Manually Annotated
Plant	Momordica charantia	FooDB	Manually Annotated
Plant	Castanea	FooDB	Manually Annotated
Plant	Rubus ursinus x idaeus	FooDB	Manually Annotated
Plant	Pleurotus ostreatus	FooDB	Manually Annotated
Plant	Cirsium	FooDB	Manually Annotated
Plant	Solanum melongena	FooDB	Manually Annotated
Plant	Raphanus sativus var. sativus	FooDB	Manually Annotated
Plant	Prunus persica var. persica	FooDB	Manually Annotated
Plant	Opuntia	FooDB	Manually Annotated
Plant	Colocasia esculenta	FooDB	Manually Annotated
Plant	Anthriscus cerefolium	FooDB	Manually Annotated
Plant	Nuphar lutea	FooDB	Manually Annotated
Plant	Myristica fragrans	FooDB	Manually Annotated
Plant	Pachyrhizus erosus	FooDB	Manually Annotated
Plant	Lupinus albus	FooDB	Manually Annotated
Plant	Cichorium endivia	FooDB	Manually Annotated
Plant	Apium graveolens	FooDB	Manually Annotated
Plant	Elaeis	FooDB	Manually Annotated
Plant	Ribes uva-crispa	FooDB	Manually Annotated
Plant	Raphanus sativus var. niger	FooDB	Manually Annotated
Plant	Feijoa sellowiana	FooDB	Manually Annotated
Plant	Dysphania ambrosioides	FooDB	Manually Annotated
Plant	Cinnamomum	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	Salix pulchra	FooDB	Manually Annotated
Plant	Castanea sativa	FooDB	Manually Annotated
Plant	Cydonia oblonga	FooDB	Manually Annotated
Plant	Annona muricata	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	Thymus pulegioides	FooDB	Manually Annotated
Plant	Phaseolus coccineus	FooDB	Manually Annotated
Plant	Mespilus germanica	FooDB	Manually Annotated
Plant	Tamarindus indica	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	Olea europaea	FooDB	Manually Annotated
Plant	Sambucus	FooDB	Manually Annotated
Plant	Pinus	FooDB	Manually Annotated
Plant	Psidium guajava	FooDB	Manually Annotated
Plant	Solanum tuberosum	FooDB	Manually Annotated
Plant	Syzygium cumini	FooDB	Manually Annotated
Plant	Tilia tomentosa	FooDB	Manually Annotated
Plant	Typha angustifolia	FooDB	Manually Annotated
Plant	Empetrum nigrum	FooDB	Manually Annotated
Plant	Myrica rubra	FooDB	Manually Annotated
Plant	Daucus carota	FooDB	Manually Annotated
Plant	Valerianella locusta	FooDB	Manually Annotated
Plant	Vaccinium vitis-idaea	FooDB	Manually Annotated
Plant	Vaccinium angustifolium x vaccinium corymbosum	FooDB	Manually Annotated
Plant	Sisymbrium	FooDB	Manually Annotated
Plant	Vanilla	FooDB	Manually Annotated
Plant	Carya	FooDB	Manually Annotated
Plant	Brassica oleracea l. var. capitata l. f. alba dc.	FooDB	Manually Annotated
Plant	Physalis philadelphica var. immaculata	FooDB	Manually Annotated
Plant	Hyssopus officinalis	FooDB	Manually Annotated
Plant	Borago officinalis	FooDB	Manually Annotated
Plant	Raphanus sativus	FooDB	Manually Annotated
Plant	Prunus dulcis	FooDB	Manually Annotated
Plant	Manihot esculenta	FooDB	Manually Annotated
Plant	Beta vulgaris ssp. cicla	FooDB	Manually Annotated
Plant	Scorzonera hispanica	FooDB	Manually Annotated
Plant	Vigna radiata	FooDB	Manually Annotated
Plant	Angelica keiskei	FooDB	Manually Annotated
Plant	Vigna unguiculata ssp. sesquipedalis	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	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	Abelmoschus esculentus	FooDB	Manually Annotated
Plant	Moringa oleifera	FooDB	Manually Annotated
Plant	Solanum lycopersicum	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	Manilkara zapota	FooDB	Manually Annotated
Plant	Cucurbita pepo var. clypeata	FooDB	Manually Annotated
Plant	Mentha spicata	FooDB	Manually Annotated
Plant	Helianthus annuus	FooDB	Manually Annotated
Plant	Allium cepa	FooDB	Manually Annotated
Plant	Corylus	FooDB	Manually Annotated
Plant	Malus	FooDB	Manually Annotated
Plant	Sambucus nigra	FooDB	Manually Annotated
Plant	Juglans	FooDB	Manually Annotated
Plant	Pisum sativum	FooDB	Manually Annotated
Plant	Mangifera indica	FooDB	Manually Annotated
Plant	Petroselinum crispum	FooDB	Manually Annotated
Plant	Ribes nigrum	FooDB	Manually Annotated
Plant	Zingiber officinale	FooDB	Manually Annotated
Plant	Illicium verum	FooDB	Manually Annotated
Plant	Chamaemelum nobile	FooDB	Manually Annotated
Plant		FooDB	Manually Annotated
Plant	Laurus nobilis	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	Pediomelum esculentum	FooDB	Manually Annotated
Plant	Auricularia polytricha	FooDB	Manually Annotated
Plant	Spinacia oleracea	FooDB	Manually Annotated
Plant	Camellia oleifera	FooDB	Manually Annotated
Plant	Vaccinium corymbosum	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	Carica papaya	FooDB	Manually Annotated
Plant	Pimenta dioica	FooDB	Manually Annotated
Plant	Rubus arcticus	FooDB	Manually Annotated
Plant	Medicago sativa	FooDB	Manually Annotated
Plant	Vigna mungo	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	Hibiscus sabdariffa	FooDB	Manually Annotated
Plant	Benincasa hispida	FooDB	Manually Annotated
Plant	Prunus persica	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	Phoenix dactylifera	FooDB	Manually Annotated
Plant	Vaccinium macrocarpon	FooDB	Manually Annotated
Plant	Arctium lappa	FooDB	Manually Annotated
Plant	Brassica oleracea var. gongylodes	FooDB	Manually Annotated
Plant		FooDB	Manually Annotated
Plant	Juglans cinerea	FooDB	Manually Annotated

Host Biospecimen and Location

Host and Biospecimen	Status	Mean	Std	Min	Max	Units	Age	Sex	Health Condition	Data Source	Reference
Human Feces	Detected but not Quantified									HMDB

External Links

HMDB ID

HMDB0060250

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB030342

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

25010760

PDB ID

Not Available

ChEBI ID

50774

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

General References

Simons K, Toomre D: Lipid rafts and signal transduction. Nat Rev Mol Cell Biol. 2000 Oct;1(1):31-9. doi: 10.1038/35036052. [PubMed:11413487 ]
Watson AD: Thematic review series: systems biology approaches to metabolic and cardiovascular disorders. Lipidomics: a global approach to lipid analysis in biological systems. J Lipid Res. 2006 Oct;47(10):2101-11. doi: 10.1194/jlr.R600022-JLR200. Epub 2006 Aug 10. [PubMed:16902246 ]
Sethi JK, Vidal-Puig AJ: Thematic review series: adipocyte biology. Adipose tissue function and plasticity orchestrate nutritional adaptation. J Lipid Res. 2007 Jun;48(6):1253-62. doi: 10.1194/jlr.R700005-JLR200. Epub 2007 Mar 20. [PubMed:17374880 ]
Lingwood D, Simons K: Lipid rafts as a membrane-organizing principle. Science. 2010 Jan 1;327(5961):46-50. doi: 10.1126/science.1174621. [PubMed:20044567 ]
Thiele I, Swainston N, Fleming RM, Hoppe A, Sahoo S, Aurich MK, Haraldsdottir H, Mo ML, Rolfsson O, Stobbe MD, Thorleifsson SG, Agren R, Bolling C, Bordel S, Chavali AK, Dobson P, Dunn WB, Endler L, Hala D, Hucka M, Hull D, Jameson D, Jamshidi N, Jonsson JJ, Juty N, Keating S, Nookaew I, Le Novere N, Malys N, Mazein A, Papin JA, Price ND, Selkov E Sr, Sigurdsson MI, Simeonidis E, Sonnenschein N, Smallbone K, Sorokin A, van Beek JH, Weichart D, Goryanin I, Nielsen J, Westerhoff HV, Kell DB, Mendes P, Palsson BO: A community-driven global reconstruction of human metabolism. Nat Biotechnol. 2013 May;31(5):419-25. doi: 10.1038/nbt.2488. Epub 2013 Mar 3. [PubMed:23455439 ]
Gunstone, Frank D., John L. Harwood, and Albert J. Dijkstra (2007). The lipid handbook with CD-ROM. CRC Press.

Showing metabocard for 2-decaprenyl-6-methoxyphenol (MMDBc0013263)

MOL for #<Metabolite:0x00007fdb4ab4d548>

3D MOL for #<Metabolite:0x00007fdb4ab4d548>

3D SDF for #<Metabolite:0x00007fdb4ab4d548>

3D-SDF for #<Metabolite:0x00007fdb4ab4d548>

PDB for #<Metabolite:0x00007fdb4ab4d548>

3D PDB for #<Metabolite:0x00007fdb4ab4d548>

SMILES for #<Metabolite:0x00007fdb4ab4d548>

INCHI for #<Metabolite:0x00007fdb4ab4d548>

Structure for #<Metabolite:0x00007fdb4ab4d548>

3D Structure for #<Metabolite:0x00007fdb4ab4d548>