NP-MRD: Showing NP-Card for Lycopersiconol (NP0045420)

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Record Information

Version

2.0

Created at

2022-03-17 19:19:40 UTC

Updated at

2022-03-17 19:19:40 UTC

NP-MRD ID

NP0045420

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Lycopersiconol

Description

Lycopersiconol belongs to the class of organic compounds known as gluco/mineralocorticoids, progestogins and derivatives. These are steroids with a structure based on a hydroxylated prostane moiety. Lycopersiconol is an extremely weak basic (essentially neutral) compound (based on its pKa). Outside of the human body, lycopersiconol has been detected, but not quantified in, garden tomato. This could make lycopersiconol a potential biomarker for the consumption of these foods.

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 58 61  0  0  0  0  0  0  0  0999 V2000
    5.6309   -0.6037   -0.8811 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2067   -0.8312   -0.5038 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6802   -1.8341   -0.9434 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5619    0.1449    0.3474 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.5617    1.5340   -0.3110 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.6030    1.6731   -1.2060 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1988    1.6991   -0.9566 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5381    0.4086   -0.6883 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0741    0.3465   -0.8304 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.7041    1.5618   -0.4483 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1002    1.4249   -0.9999 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6034    0.0358   -1.0960 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.1089    0.0632   -0.9418 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5562    0.2689    0.4718 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.9256    0.1845    0.5250 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9824   -0.8649    1.3039 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4673   -0.7814    1.2719 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9792   -0.9420   -0.1530 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.4563   -2.3324   -0.5842 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4941   -0.9235   -0.2315 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0890   -1.2374    1.1204 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6120   -1.2949    1.0746 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1109    0.0144    0.6381 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.8317    1.0208    1.7382 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1273    0.1283   -0.1815 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7390   -0.2996   -1.9374 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2440   -1.5369   -0.7684 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1304    0.2442    1.3193 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7091    2.2880    0.4884 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8696    2.6345   -1.2559 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4025    1.8245   -2.0553 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7397    2.5972   -0.5600 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9725   -0.3352   -1.4257 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1401    0.2499   -1.9436 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7842    1.7507    0.6247 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2506    2.4395   -0.9357 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7776    2.0796   -0.3760 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1432    1.8807   -2.0183 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4188   -0.3630   -2.1378 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6189   -0.7863   -1.3914 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4511    0.9721   -1.5191 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1888    1.2432    0.8704 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3909    0.9749    0.1518 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3755   -1.8206    0.9595 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2800   -0.6498    2.3662 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1821    0.1527    1.7406 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1075   -1.6898    1.8224 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8026   -2.9429    0.2458 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2421   -2.2890   -1.3411 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6065   -2.9057   -1.0593 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1299   -1.7561   -0.8997 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3166   -0.6494    1.9310 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2224   -2.3048    1.3373 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8247   -2.1566    0.4110 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9655   -1.6036    2.0808 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7690    1.2636    2.3279 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1343    0.6411    2.5125 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4806    1.9895    1.3668 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  6
 18 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  1
 23  4  1  0
 23  8  1  0
 20  9  1  0
 18 12  1  0
  1 25  1  0
  1 26  1  0
  1 27  1  0
  4 28  1  1
  5 29  1  1
  6 30  1  0
  7 31  1  0
  7 32  1  0
  8 33  1  6
  9 34  1  6
 10 35  1  0
 10 36  1  0
 11 37  1  0
 11 38  1  0
 12 39  1  6
 13 40  1  0
 13 41  1  0
 14 42  1  1
 15 43  1  0
 16 44  1  0
 16 45  1  0
 17 46  1  0
 17 47  1  0
 19 48  1  0
 19 49  1  0
 19 50  1  0
 20 51  1  6
 21 52  1  0
 21 53  1  0
 22 54  1  0
 22 55  1  0
 24 56  1  0
 24 57  1  0
 24 58  1  0
M  END


  Mrv0541 05061304492D          

 24 27  0  0  0  0            999 V2000
    0.2424    1.5050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5466    1.3336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0307    1.7357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5754   -0.8489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7633   -0.7037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1708    1.0432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7345    1.4789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3587    1.1884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9224    1.6241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9193   -0.3634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0195   -0.2889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0596    1.6179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1072   -0.2182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4511    0.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4830    0.0722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0148    0.7029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6708    0.2174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3367    0.1741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5660    0.9666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8269    0.5577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3905    0.9934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3705    2.3821    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2632    0.1221    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5607   -0.1062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  5  4  1  0  0  0  0
  8  6  1  0  0  0  0
  9  7  1  0  0  0  0
 12  1  1  0  0  0  0
 13  4  1  0  0  0  0
 13 10  1  0  0  0  0
 14  6  1  0  0  0  0
 14 10  1  0  0  0  0
 15  5  1  0  0  0  0
 16  7  1  0  0  0  0
 16 15  1  0  0  0  0
 17 11  1  0  0  0  0
 17 15  1  0  0  0  0
 18 11  1  0  0  0  0
 19 12  1  0  0  0  0
 19 18  1  0  0  0  0
 20  2  1  0  0  0  0
 20  8  1  0  0  0  0
 20 13  1  0  0  0  0
 20 16  1  0  0  0  0
 21  3  1  0  0  0  0
 21  9  1  0  0  0  0
 21 17  1  0  0  0  0
 21 19  1  0  0  0  0
 22 12  2  0  0  0  0
 23 14  1  0  0  0  0
 24 18  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0045420

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(=O)C1C(O)CC2C3CCC4CC(O)CCC4(C)C3CCC12C

> <INCHI_IDENTIFIER>
InChI=1S/C21H34O3/c1-12(22)19-18(24)11-17-15-5-4-13-10-14(23)6-8-20(13,2)16(15)7-9-21(17,19)3/h13-19,23-24H,4-11H2,1-3H3

> <INCHI_KEY>
FGDFFHLIMDMCJI-UHFFFAOYSA-N

> <FORMULA>
C21H34O3

> <MOLECULAR_WEIGHT>
334.4929

> <EXACT_MASS>
334.250794954

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_AVERAGE_POLARIZABILITY>
39.4124112811988

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
1-{5,13-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-14-yl}ethan-1-one

> <ALOGPS_LOGP>
3.18

> <JCHEM_LOGP>
2.7561268670000008

> <ALOGPS_LOGS>
-3.94

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
18.2963963211217

> <JCHEM_PKA_STRONGEST_ACIDIC>
14.750583846314111

> <JCHEM_PKA_STRONGEST_BASIC>
-1.3569558602293386

> <JCHEM_POLAR_SURFACE_AREA>
57.53

> <JCHEM_REFRACTIVITY>
94.42219999999996

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.88e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
1-{5,13-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-14-yl}ethanone

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 06-MAY-13   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-MAY-13         0                                  
HETATM    1  C   UNK     0       0.452   2.809   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       8.487   2.489   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       3.791   3.240   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       8.541  -1.585   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       7.025  -1.314   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      11.519   1.947   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       6.971   2.761   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      10.003   2.218   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       5.455   3.032   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      11.049  -0.678   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       3.770  -0.539   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       1.978   3.020   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       9.533  -0.407   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      12.042   0.499   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       6.502   0.135   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       7.494   1.312   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       4.985   0.406   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       2.495   0.325   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       2.923   1.804   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       9.010   1.041   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       4.462   1.854   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0       2.558   4.447   0.000  0.00  0.00           O+0
HETATM   23  O   UNK     0      13.558   0.228   0.000  0.00  0.00           O+0
HETATM   24  O   UNK     0       1.047  -0.198   0.000  0.00  0.00           O+0
CONECT    1   12                                                            
CONECT    2   20                                                            
CONECT    3   21                                                            
CONECT    4    5   13                                                       
CONECT    5    4   15                                                       
CONECT    6    8   14                                                       
CONECT    7    9   16                                                       
CONECT    8    6   20                                                       
CONECT    9    7   21                                                       
CONECT   10   13   14                                                       
CONECT   11   17   18                                                       
CONECT   12    1   19   22                                                  
CONECT   13    4   10   20                                                  
CONECT   14    6   10   23                                                  
CONECT   15    5   16   17                                                  
CONECT   16    7   15   20                                                  
CONECT   17   11   15   21                                                  
CONECT   18   11   19   24                                                  
CONECT   19   12   18   21                                                  
CONECT   20    2    8   13   16                                             
CONECT   21    3    9   17   19                                             
CONECT   22   12                                                            
CONECT   23   14                                                            
CONECT   24   18                                                            
MASTER        0    0    0    0    0    0    0    0   24    0   54    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₁H₃₄O₃

Average Mass

334.4929 Da

Monoisotopic Mass

334.25079 Da

IUPAC Name

1-{5,13-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-14-yl}ethan-1-one

Traditional Name

1-{5,13-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-14-yl}ethanone

CAS Registry Number

20745-29-3

SMILES

CC(=O)C1C(O)CC2C3CCC4CC(O)CCC4(C)C3CCC12C

InChI Identifier

InChI=1S/C21H34O3/c1-12(22)19-18(24)11-17-15-5-4-13-10-14(23)6-8-20(13,2)16(15)7-9-21(17,19)3/h13-19,23-24H,4-11H2,1-3H3

InChI Key

FGDFFHLIMDMCJI-UHFFFAOYSA-N

Experimental Spectra

Not Available

Predicted Spectra

Spectrum Type	Description	Depositor ID	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹³C NMR Spectrum (1D, 25 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Solanum lycopersicum	FooDB	Shmuel Yannai Dictionary of Food Compounds with CD-ROM: Additives, Flavors, and Ingredients. Chap...

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as gluco/mineralocorticoids, progestogins and derivatives. These are steroids with a structure based on a hydroxylated prostane moiety.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Steroids and steroid derivatives

Sub Class

Pregnane steroids

Direct Parent

Gluco/mineralocorticoids, progestogins and derivatives

Alternative Parents

Not Available

Substituents

Not Available

Molecular Framework

Aliphatic homopolycyclic compounds

External Descriptors

Not Available

Physical Properties

State

Not Available

Experimental Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Predicted Properties

Property	Value	Source
logP	3.18	ALOGPS
logP	2.76	ChemAxon
logS	-3.9	ALOGPS
pKa (Strongest Acidic)	14.75	ChemAxon
pKa (Strongest Basic)	-1.4	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	3	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	57.53 Å²	ChemAxon
Rotatable Bond Count	1	ChemAxon
Refractivity	94.42 m³·mol⁻¹	ChemAxon
Polarizability	39.41 Å³	ChemAxon
Number of Rings	4	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

HMDB ID

HMDB0029583

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

FDB000740

KNApSAcK ID

Not Available

Chemspider ID

3311525

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

4097385

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Showing NP-Card for Lycopersiconol (NP0045420)

MOL for NP0045420 (Lycopersiconol)

3D MOL for NP0045420 (Lycopersiconol)

3D SDF for NP0045420 (Lycopersiconol)

3D-SDF for NP0045420 (Lycopersiconol)

PDB for NP0045420 (Lycopersiconol)

3D PDB for NP0045420 (Lycopersiconol)

SMILES for NP0045420 (Lycopersiconol)

INCHI for NP0045420 (Lycopersiconol)

Structure for NP0045420 (Lycopersiconol)

3D Structure for NP0045420 (Lycopersiconol)