NP-MRD: Showing NP-Card for Lycopene (NP0044286)

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Record Information

Version

2.0

Created at

2022-02-14 20:44:16 UTC

Updated at

2022-03-10 22:21:37 UTC

NP-MRD ID

NP0044286

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Lycopene

Description

Lycopene, also known as pro lycopene or lyc O mato, belongs to the class of organic compounds known as carotenes. These are a type of unsaturated hydrocarbons containing eight consecutive isoprene units. They are characterized by the presence of two end-groups (mostly cyclohexene rings, but also cyclopentene rings or acyclic groups) linked by a long branched alkyl chain. Carotenes belonging form a subgroup of the carotenoids family. Thus, lycopene is considered to be an isoprenoid lipid molecule. Lycopene is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral. Lycopene is expected to be in Cannabis as all living plants are known to produce and metabolize it.

Structure

MOL 3D MOL SDF PDB SMILES InChI

  Mrv1652309042000272D          

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M  END

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M  END

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10001.638810007.8977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10000.924010007.4857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10000.209410007.8977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9999.494510007.4857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9998.779910007.8977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9998.065110007.4857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9997.350510007.8977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9996.635810007.4857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9997.350510008.7224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10000.209410008.7224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10003.068310008.7224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10005.927110008.7224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10009.503710006.6603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10013.077110007.8977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10013.790510007.4857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10014.506110007.8977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10015.221510007.4857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10015.935010007.8977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10016.650510007.4857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10017.364010007.8977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10018.079410007.4857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10018.797010007.8977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10018.079410006.6603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10015.221510006.6603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10012.361610006.6603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1 29  1  0  0  0  0
  1 40  1  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
  5 28  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 27  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 26  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 25  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 32 39  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
 36 37  1  0  0  0  0
 36 38  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0044286

> <DATABASE_NAME>
NP-MRD

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

> <INCHI_IDENTIFIER>
InChI=1S/C40H56/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,15-22,25-32H,13-14,23-24H2,1-10H3/b12-11+,25-15+,26-16+,31-17+,32-18+,35-21+,36-22+,37-27+,38-28+,39-29+,40-30+

> <INCHI_KEY>
OAIJSZIZWZSQBC-GYZMGTAESA-N

> <FORMULA>
C40H56

> <MOLECULAR_WEIGHT>
536.888

> <EXACT_MASS>
536.438201803

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
96

> <JCHEM_AVERAGE_POLARIZABILITY>
73.69457447669498

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,24,26,30-tridecaene

> <ALOGPS_LOGP>
9.16

> <JCHEM_LOGP>
11.931831819333333

> <ALOGPS_LOGS>
-6.13

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
197.806

> <JCHEM_ROTATABLE_BOND_COUNT>
16

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
3.97e-04 g/l

> <JCHEM_TRADITIONAL_IUPAC>
lycopene

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 04-SEP-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   04-SEP-20         0                                  
HETATM    1  C   UNK     0    8689.7428680.640   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0    8688.4068681.409   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0    8687.0748680.640   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0    8685.7398681.409   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0    8684.4078680.640   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0    8683.0718681.409   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0    8681.7368680.640   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0    8680.4038681.409   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0    8679.0698680.640   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0    8677.7318681.409   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0    8676.3968680.640   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0    8675.0628681.409   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0    8673.7288680.640   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0    8672.3948681.409   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0    8671.0608680.640   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0    8669.7268681.409   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0    8668.3918680.640   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0    8667.0588681.409   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0    8665.7238680.640   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0    8664.3898681.409   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0    8663.0558680.640   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0    8661.7218681.409   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0    8660.3878680.640   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0    8661.7218682.948   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0    8667.0588682.948   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0    8672.3948682.948   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0    8677.7318682.948   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0    8684.4078679.099   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0    8691.0778681.409   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0    8692.4098680.640   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0    8693.7458681.409   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0    8695.0808680.640   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0    8696.4128681.409   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0    8697.7488680.640   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0    8699.0798681.409   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0    8700.4158680.640   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0    8701.7548681.409   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0    8700.4158679.099   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0    8695.0808679.099   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0    8689.7428679.099   0.000  0.00  0.00           C+0
CONECT    1    2   29   40                                                  
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6   28                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11   27                                                  
CONECT   11   10   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13   15   26                                                  
CONECT   15   14   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   18                                                       
CONECT   18   17   19   25                                                  
CONECT   19   18   20                                                       
CONECT   20   19   21                                                       
CONECT   21   20   22                                                       
CONECT   22   21   23   24                                                  
CONECT   23   22                                                            
CONECT   24   22                                                            
CONECT   25   18                                                            
CONECT   26   14                                                            
CONECT   27   10                                                            
CONECT   28    5                                                            
CONECT   29    1   30                                                       
CONECT   30   29   31                                                       
CONECT   31   30   32                                                       
CONECT   32   31   33   39                                                  
CONECT   33   32   34                                                       
CONECT   34   33   35                                                       
CONECT   35   34   36                                                       
CONECT   36   35   37   38                                                  
CONECT   37   36                                                            
CONECT   38   36                                                            
CONECT   39   32                                                            
CONECT   40    1                                                            
MASTER        0    0    0    0    0    0    0    0   40    0   78    0
END

View in JSmol

Synonyms

Value	Source
(6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E)-2,6,10,14,19,23,27,31-Octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,24,26,30-tridecaene	ChEBI
all-trans-Lycopene	ChEBI
(6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E)-2,6,10,14,19,23,27,31-Octamethyl-2,6,8,10,12,14,16,18,20,22,24,26,30-dotriacontatridecaene	HMDB
(all-e)-2,6,10,14,19,23,27,31-Octamethyl-2,6,8,10,12,14,16,18,20,22,24,26,30-dotriacontatridecaene	HMDB
trans-Lycopene	HMDB
(all-e)-Lycopene	HMDB
Psi,psi-carotene	HMDB
Ψ,ψ-carotene	HMDB
Pro lycopene	HMDB
LYC O mato	HMDB
all trans Lycopene	HMDB
LYCOMATO	HMDB
Pro-lycopene	HMDB
Lycopene	HMDB

Chemical Formula

C₄₀H₅₆

Average Mass

536.8880 Da

Monoisotopic Mass

536.43820 Da

IUPAC Name

(6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,24,26,30-tridecaene

Traditional Name

lycopene

CAS Registry Number

502-65-8

SMILES

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

InChI Identifier

InChI=1S/C40H56/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,15-22,25-32H,13-14,23-24H2,1-10H3/b12-11+,25-15+,26-16+,31-17+,32-18+,35-21+,36-22+,37-27+,38-28+,39-29+,40-30+

InChI Key

OAIJSZIZWZSQBC-GYZMGTAESA-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
Abelmoschus esculentus	FooDB	USDA
Abramis brama	FooDB	USDA
Acipenser	FooDB	USDA
Acipenseridae	FooDB	USDA
Actinidia chinensis	FooDB	USDA
Actinidia deliciosa	Plant	KNApSAcK
Actinidia macrosperma	Plant	KNApSAcK
Afifella marina	LOTUS Database	35616633
Agaricus bisporus	FooDB	FooDB
Agave	FooDB	USDA
Agrobacterium aurantiacum	Bacteria	KNApSAcK
Allium ampeloprasum	FooDB	USDA
Allium ascalonicum	FooDB	USDA
Allium cepa	FooDB	USDA
Allium cepa L.	FooDB	FooDB
Allium fistulosum	FooDB	FooDB
Allium sativum	FooDB	USDA
Allium schoenoprasum	FooDB	USDA
Allium tuberosum	FooDB	USDA
Allomyces javanicus	LOTUS Database	35616633
Alosa sapidissima	FooDB	USDA
Aloysia triphylla	FooDB	FooDB
Amaranthus	FooDB	USDA
Amelanchier alnifolia	FooDB	FooDB
Anabaena sp. Strain PCC7120	Plant	KNApSAcK
Anacardium occidentale	FooDB	USDA
Ananas comosus	FooDB	PHYTOHUB
Anatidae	FooDB	USDA
Anethum graveolens	FooDB	FooDB
Angelica keiskei	FooDB	FooDB
Anguilla	FooDB	USDA
Anguilliformes	FooDB	USDA
Annona cherimola	FooDB	USDA
Annona muricata	FooDB	USDA
Annona reticulata	FooDB	FooDB
Annona squamosa	FooDB	FooDB
Anthriscus cerefolium	FooDB	FooDB
Apium graveolens	FooDB	USDA
Apium graveolens var. dulce	FooDB	USDA
Apium graveolens var. rapaceum	FooDB	USDA
Apium graveolens var. secalinum	FooDB	FooDB
Arabidopsis thaliana	Plant	KNApSAcK
Arachis hypogaea	FooDB	USDA
Arctium lappa	FooDB	USDA
Armoracia rusticana	FooDB	USDA
Artemisia dracunculus	FooDB	FooDB
Artemisia vulgaris	FooDB	FooDB
Artocarpus altilis	FooDB	USDA
Artocarpus heterophyllus	FooDB	USDA
Asparagus officinalis	FooDB	USDA
Aspergillus giganteus	LOTUS Database	35616633
Astacidea	FooDB	USDA
Attalea speciosa	FooDB	FooDB
Aureococcus anaphagefferens	Chromista	KNApSAcK
Auricularia auricula-judae	FooDB	FooDB
Auricularia polytricha	FooDB	FooDB
Avena sativa L.	FooDB	USDA
Averrhoa carambola	FooDB	USDA
Basella alba	FooDB	FooDB
Benincasa hispida	FooDB	FooDB
Bertholletia excelsa	FooDB	USDA
Beta vulgaris	FooDB	USDA
Beta vulgaris ssp. cicla	FooDB	USDA
Bison bison	FooDB	USDA
Borago officinalis	FooDB	FooDB
Bos taurus	FooDB	USDA
Brassica alboglabra	FooDB	USDA
Brassica juncea	FooDB	USDA
Brassica napus	FooDB	USDA
Brassica napus var. napus	FooDB	FooDB
Brassica oleracea	FooDB	USDA
Brassica oleracea var. botrytis	FooDB	USDA
Brassica oleracea var. capitata	FooDB	USDA
Brassica oleracea var. gemmifera	FooDB	USDA
Brassica oleracea var. gongylodes	FooDB	USDA
Brassica oleracea var. italica	FooDB	USDA
Brassica oleracea var. sabauda	FooDB	USDA
Brassica oleracea var. viridis	FooDB	FooDB
Brassica rapa	FooDB	USDA
Brassica rapa ssp. chinensis	FooDB	USDA
Brassica rapa var. pekinensis	FooDB	USDA
Brassica rapa var. rapa	FooDB	USDA
Brassica rutabaga	Plant	KNApSAcK
Brassica ruvo	FooDB	FooDB
Brosimum alicastrum	FooDB	FooDB
Buccinidae	FooDB	USDA
Byrsonima crassifolia	FooDB	USDA
Cajanus cajan	FooDB	FooDB
Calendula officinalis	Plant	KNApSAcK
Canarium ovatum	FooDB	FooDB
Cannabis sativa	CannabisDB	Not Available
Cantharellus cibarius	FooDB	FooDB
Capparis spinosa	FooDB	USDA
Capra aegagrus hircus	FooDB	USDA
Capsicum annuum	FooDB	All-Creatures
Capsicum annuum L.	FooDB	FooDB
Capsicum annuum var. annuum	FooDB	FooDB
Capsicum chinense	FooDB	FooDB
Capsicum pubescens	FooDB	FooDB
Carica papaya L.	FooDB	PHYTOHUB
Caridea	FooDB	USDA
Carissa macrocarpa	FooDB	FooDB
Carthamus tinctorius	FooDB	FooDB
Carum carvi	FooDB	USDA
Carya	FooDB	FooDB
Carya illinoinensis	FooDB	USDA
Castanea	FooDB	FooDB
Castanea crenata	FooDB	FooDB
Castanea mollissima	FooDB	FooDB
Castanea sativa	FooDB	FooDB
Ceratonia siliqua	FooDB	USDA
Cervidae	FooDB	USDA
Cervus canadensis	FooDB	USDA
Chamaemelum nobile	FooDB	USDA
Chamerion angustifolium	FooDB	FooDB
Chenopodium album	FooDB	USDA
Chenopodium quinoa	FooDB	USDA
Chondrus crispus	FooDB	USDA
Chrysanthemum coronarium	FooDB	FooDB
Cicer arietinum	FooDB	USDA
Cichlidae	FooDB	USDA
Cichorium endivia	FooDB	USDA
Cichorium intybus	FooDB	USDA
Cinnamomum	FooDB	USDA
Cinnamomum aromaticum	FooDB	FooDB
Cinnamomum verum	FooDB	FooDB
Cirsium	FooDB	FooDB
Citrullus lanatus	FooDB	PHYTOHUB
Citrus ×limon (L.) Burm. f. (pro sp.)	FooDB	USDA
Citrus aurantiifolia	FooDB	USDA
Citrus aurantium	LOTUS Database	35616633
Citrus latifolia	FooDB	USDA
Citrus limon	FooDB	USDA
Citrus maxima	FooDB	FooDB
Citrus paradisi	FooDB	USDA
Citrus reticulata	FooDB	USDA
Citrus spp.	Plant	KNApSAcK
Citrus X sinensis (L.) Osbeck (pro. sp.)	FooDB	USDA
Clupea harengus harengus	FooDB	USDA
Cocos nucifera	FooDB	USDA
Coffea arabica L.	FooDB	USDA
Coffea canephora	FooDB	USDA
Colocasia esculenta	FooDB	USDA
Columbidae	FooDB	USDA
Corchorus olitorius	FooDB	FooDB
Coregonus	FooDB	USDA
Coriandrum sativum L.	FooDB	USDA
Corylus	FooDB	USDA
Corylus avellana	FooDB	USDA
Crassostrea gigas	FooDB	USDA
Crassostrea virginica	FooDB	USDA
Crateva religiosa	FooDB	FooDB
Crocus sativus	FooDB	FooDB
Cucumis melo	FooDB	USDA
Cucumis metuliferus	FooDB	FooDB
Cucumis sativus L.	FooDB	USDA
Cucurbita	FooDB	FooDB
Cucurbita maxima	FooDB	USDA
Cucurbita moschata	FooDB	USDA
Cuminum cyminum	FooDB	USDA
Curcuma longa	FooDB	USDA
Cyclamen persicum	LOTUS Database	35616633
Cydonia oblonga	FooDB	FooDB
Cymbopogon citratus	FooDB	FooDB
Cynara cardunculus	FooDB	FooDB
Cynara scolymus	FooDB	USDA
Cyprinus carpio	FooDB	USDA
Daucus carota	Plant	KNApSAcK
Daucus carota ssp. sativus	FooDB	FooDB
Deinococcus radiodurans	-	KNApSAcK
Dimocarpus longan	FooDB	FooDB
Dioscorea	FooDB	USDA
Dioscorea pentaphylla	FooDB	FooDB
Diospyros	FooDB	PHYTOHUB
Diospyros kaki	FooDB	USDA
Diospyros virginiana	FooDB	FooDB
Dromaius novaehollandiae	FooDB	USDA
Durio zibethinus	FooDB	FooDB
Dysphania ambrosioides	FooDB	FooDB
Elaeis	FooDB	USDA
Eleocharis dulcis	FooDB	FooDB
Elettaria cardamomum	FooDB	FooDB
Empetrum nigrum	FooDB	FooDB
Engraulidae	FooDB	USDA
Engraulis encrasicolus	FooDB	USDA
Eragrostis tef	FooDB	USDA
Eriobotrya japonica	FooDB	FooDB
Eruca vesicaria subsp. Sativa	FooDB	USDA
Erwinia herbicola strain Eho10	Bacteria	KNApSAcK
Erwinia herbicola strain Eho13	Bacteria	KNApSAcK
Esox lucius	FooDB	USDA
Eucheuma	FooDB	USDA
Eugenia javanica	FooDB	FooDB
Eugenia uniflora	FooDB	FooDB
Eutrema japonicum	FooDB	USDA
Fagopyrum esculentum	FooDB	USDA
Fagopyrum tataricum	FooDB	FooDB
Fagus	FooDB	FooDB
Feijoa sellowiana	FooDB	USDA
Ficus carica	FooDB	PHYTOHUB
Flammulina velutipes	FooDB	FooDB
Flavobacterium sp. Strain R1534	Bacteria	KNApSAcK
Foeniculum vulgare	FooDB	USDA
Fragaria x ananassa	FooDB	FooDB
Gadiformes	FooDB	USDA
Gadus	FooDB	USDA
Gadus macrocephalus	FooDB	USDA
Gadus morhua	FooDB	USDA
Garcinia mangostana	FooDB	FooDB
Gardenia jasminoides	Plant	KNApSAcK
Gastropoda	FooDB	USDA
Gaylussacia baccata	FooDB	FooDB
Ginkgo biloba	FooDB	FooDB
Glycine max	FooDB	USDA
Gnaphalium uliginosum	LOTUS Database	35616633
Gossypium	FooDB	FooDB
Grifola frondosa	FooDB	USDA
Haloferax volcanii	LOTUS Database	35616633
Hedysarum alpinum	FooDB	FooDB
Helianthus annuus L.	FooDB	FooDB
Helianthus tuberosus	FooDB	USDA
Hibiscus sabbariffa	FooDB	USDA
Hippoglossus	FooDB	USDA
Hippoglossus hippoglossus	FooDB	USDA
Hippoglossus stenolepis	FooDB	USDA
Hippophae rhamnoides	FooDB	FooDB
Homarus americanus	FooDB	USDA
Hoplostethus atlanticus	FooDB	USDA
Hordeum vulgare	FooDB	USDA
Hyssopus officinalis L.	FooDB	FooDB
Ictalurus punctatus	FooDB	USDA
Illicium verum	FooDB	FooDB
Ipomoea aquatica	FooDB	FooDB
Ipomoea batatas	FooDB	USDA
Juglans	FooDB	USDA
Juglans ailanthifolia	FooDB	FooDB
Juglans cinerea	FooDB	FooDB
Juglans nigra L.	FooDB	USDA
Juglans regia	FooDB	USDA
Lablab purpureus	FooDB	USDA
Lactuca sativa	FooDB	USDA
Lagenaria siceraria	FooDB	FooDB
Laminaria	FooDB	USDA
Lathyrus sativus	FooDB	FooDB
Laurus nobilis L.	FooDB	FooDB
Lens culinaris	FooDB	USDA
Lentinus edodes	FooDB	FooDB
Lepidium sativum	FooDB	USDA
Leporidae	FooDB	USDA
Levisticum officinale	FooDB	FooDB
Linum usitatissimum	FooDB	USDA
Litchi chinensis	FooDB	USDA
Luffa aegyptiaca	FooDB	FooDB
Lupinus	FooDB	USDA
Lupinus albus	FooDB	FooDB
Lutjanidae	FooDB	USDA
Macadamia	FooDB	FooDB
Macadamia tetraphylla	FooDB	FooDB
Malpighia emarginata	FooDB	FooDB
Malus	FooDB	FooDB
Malus pumila	FooDB	USDA
Mammea americana	FooDB	FooDB
Mangifera indica	FooDB	PHYTOHUB
Manihot esculenta	FooDB	USDA
Manilkara zapota	FooDB	FooDB
Maranta arundinacea	FooDB	FooDB
Matricaria recutita	FooDB	USDA
Matteuccia struthiopteris	FooDB	FooDB
Medicago sativa	FooDB	USDA
Meleagris gallopavo	FooDB	USDA
Melissa officinalis L.	FooDB	FooDB
Mentha	FooDB	FooDB
Mentha aquatica	FooDB	FooDB
Mentha arvensis	FooDB	FooDB
Mentha spicata	FooDB	FooDB
Mentha x piperita	FooDB	FooDB
Merlangius merlangus	FooDB	USDA
Mespilus germanica	FooDB	FooDB
Metasequoia glyptostroboides	LOTUS Database	35616633
Metroxylon sagu	FooDB	FooDB
Micropogonias undulatus	FooDB	USDA
Microstomus kitt	FooDB	USDA
Momordica charantia	Plant	KNApSAcK
Momordica cochinchinensis	Plant	KNApSAcK
Morchellaceae	FooDB	USDA
Morella rubra	FooDB	FooDB
Moringa oleifera	FooDB	FooDB
Morus	FooDB	FooDB
Morus nigra	FooDB	FooDB
Mugil cephalus	FooDB	USDA
Musa acuminata	FooDB	USDA
Musa x paradisiaca	FooDB	FooDB
Myrica	FooDB	FooDB
Myristica fragrans	FooDB	USDA
Mytilidae	FooDB	USDA
Mytilus edulis	FooDB	USDA
Myxococcus xanthus	Bacteria	KNApSAcK
Nelumbo	FooDB	USDA
Nelumbo nucifera	FooDB	FooDB
Nephelium lappaceum	FooDB	FooDB
Nephropidae	FooDB	USDA
Nephroselmis rotunda	LOTUS Database	35616633
Nuphar lutea	FooDB	FooDB
Ocimum basilicum	FooDB	USDA
Octopus vulgaris	FooDB	USDA
Oenothera biennis	FooDB	FooDB
Olea europaea	FooDB	USDA
Oncorhynchus gorbuscha	FooDB	USDA
Oncorhynchus keta	FooDB	USDA
Oncorhynchus kisutch	FooDB	USDA
Oncorhynchus mykiss	FooDB	USDA
Oncorhynchus nerka	FooDB	USDA
Oncorhynchus tshawytscha	FooDB	USDA
Opuntia	FooDB	FooDB
Opuntia cochenillifera	FooDB	USDA
Opuntia macrorhiza	FooDB	FooDB
Origanum majorana	FooDB	USDA
Origanum onites	FooDB	FooDB
Origanum vulgare	FooDB	USDA
Origanum X majoricum	FooDB	USDA
Oryza rufipogon	FooDB	USDA
Oryza sativa	FooDB	USDA
Osmeridae	FooDB	USDA
Osmerus mordax	FooDB	USDA
Pachyrhizus erosus	FooDB	USDA
Palisota barteri	LOTUS Database	35616633
Panax ginseng	FooDB	FooDB
Pandanus tectorius	Plant	KNApSAcK
Pangium edule	FooDB	FooDB
Panicum miliaceum	FooDB	USDA
Pantoea ananatis	Bacteria	KNApSAcK
Passiflora edulis	FooDB	USDA
Pastinaca sativa	FooDB	USDA
Pectinidae	FooDB	USDA
Pediomelum esculentum	FooDB	FooDB
Perciformes	FooDB	USDA
Perideridia oregana	FooDB	FooDB
Persea americana	FooDB	USDA
Petasites japonicus	FooDB	FooDB
Petroselinum crispum	FooDB	USDA
Phaeodactylum tricornutum	Chromalveolata	KNApSAcK
Phaffia rhodozyma	LOTUS Database	35616633
Phallus rugulosus	LOTUS Database	35616633
Phaseolus coccineus	FooDB	FooDB
Phaseolus lunatus	FooDB	USDA
Phaseolus vulgaris	FooDB	USDA
Phasianidae	FooDB	USDA
Phoenix dactylifera	FooDB	USDA
Photinia melanocarpa	FooDB	FooDB
Phyllostachys edulis	FooDB	USDA
Physalis	FooDB	FooDB
Physalis philadelphica var. immaculata	FooDB	FooDB
Phytolacca americana	FooDB	FooDB
Pimenta dioica	FooDB	FooDB
Pimpinella anisum	FooDB	FooDB
Pinus	FooDB	USDA
Pinus edulis	FooDB	FooDB
Piper nigrum L.	FooDB	USDA
Pistacia vera	FooDB	FooDB
Pisum sativum	FooDB	USDA
Pleuronectiformes	FooDB	USDA
Pleurotus ostreatus	FooDB	USDA
Pollachius pollachius	FooDB	USDA
Polygonum alpinum	FooDB	FooDB
Portulaca oleracea	FooDB	FooDB
Pouteria sapota	FooDB	USDA
Prunus armeniaca	FooDB	USDA
Prunus avium	FooDB	FooDB
Prunus avium L.	FooDB	FooDB
Prunus cerasus	FooDB	FooDB
Prunus domestica	FooDB	USDA
Prunus dulcis	FooDB	USDA
Prunus persica	FooDB	USDA
Prunus persica var. nucipersica	FooDB	USDA
Prunus persica var. persica	FooDB	USDA
Prunus tomentosa	FooDB	FooDB
Prunus virginiana	FooDB	USDA
Psidium cattleianum	FooDB	FooDB
Psidium guajava	FooDB	PHYTOHUB
Psophocarpus tetragonolobus	FooDB	USDA
Punica granatum	FooDB	USDA
Pyracantha angustifolia	LOTUS Database	35616633
Pyrus communis	FooDB	USDA
Pyrus pyrifolia	FooDB	USDA
Quercus	FooDB	FooDB
Ranidae	FooDB	USDA
Raphanus sativus	FooDB	USDA
Raphanus sativus var. longipinnatus	FooDB	USDA
Raphanus sativus var. sativus	FooDB	FooDB
Reinhardtius hippoglossoides	FooDB	USDA
Rheum rhabarbarum	FooDB	USDA
Rhodobacter capsulatus	--	KNApSAcK
Rhodobacter sphaeroides	--	KNApSAcK
Rhodopseudomonas spp.	--	KNApSAcK
Rhodotorula mucilaginosa	LOTUS Database	35616633
Rhodovibrio salinarum	LOTUS Database	35616633
Ribes aureum	FooDB	FooDB
Ribes glandulosum	FooDB	FooDB
Ribes nigrum	FooDB	FooDB
Ribes rubrum	FooDB	USDA
Ribes uva-crispa	FooDB	USDA
Rosa	FooDB	USDA
Rosa canina	Plant	KNApSAcK
Rosa villosa	LOTUS Database	35616633
Rubus arcticus	FooDB	FooDB
Rubus chamaemorus	FooDB	FooDB
Rubus idaeus	FooDB	FooDB
Rubus occidentalis	FooDB	FooDB
Rubus spectabilis	FooDB	USDA
Rumex	FooDB	FooDB
Rumex acetosa	FooDB	FooDB
Rumex articus	FooDB	FooDB
Sagittaria latifolia	FooDB	FooDB
Salix pulchra	FooDB	FooDB
Salvia elegans	FooDB	FooDB
Salvia hispanica	FooDB	FooDB
Salvia officinalis	FooDB	FooDB
Salvia rosmarinus	FooDB	FooDB
Sambucus nigra	FooDB	FooDB
Sambucus nigra L.	FooDB	FooDB
Satureja hortensis L.	FooDB	FooDB
Satureja montana	FooDB	FooDB
Scenedesmus obliquus	Plant	KNApSAcK
Scomberomorus maculatus	FooDB	USDA
Scorzonera hispanica	FooDB	FooDB
Sebastes	FooDB	USDA
Sebastes alutus	FooDB	USDA
Secale cereale	FooDB	USDA
Sechium edule	FooDB	USDA
Sesamum indicum	FooDB	USDA
Sesbania bispinosa	FooDB	FooDB
Shepherdia canadensis	LOTUS Database	35616633
Sinapis alba	FooDB	FooDB
Sisymbrium	FooDB	FooDB
Solanum lycopersicum	FooDB	PHYTOHUB
Solanum lycopersicum var. cerasiforme	FooDB	PHYTOHUB
Solanum lycopersicum var. lycopersicum	FooDB	USDA
Solanum lycopersicum var.(Tangella).	Plant	KNApSAcK
Solanum melongena	FooDB	USDA
Solanum quitoense	FooDB	USDA
Solanum tuberosum	FooDB	USDA
Soleidae	FooDB	USDA
Sorbus aucuparia	FooDB	FooDB
Sorghum bicolor	FooDB	FooDB
Spinacia oleracea	FooDB	USDA
Spirulina	FooDB	USDA
Squaliformes	FooDB	USDA
Stenodus leucichthys	FooDB	USDA
Stenotomus chrysops	FooDB	USDA
Streptomyces globisporus	LOTUS Database	35616633
Streptomyces griseus	Bacteria	KNApSAcK
Strombidae	FooDB	USDA
Struthio camelus	FooDB	USDA
Sus scrofa domestica	FooDB	USDA
Synechococcus sp. strain PCC7942	Bacteria	KNApSAcK
Syzygium aromaticum	FooDB	USDA
Syzygium cumini	FooDB	FooDB
Syzygium jambos	FooDB	FooDB
Tamarindus indica	FooDB	USDA
Taraxacum officinale	FooDB	USDA
Tetragonia tetragonioides	FooDB	FooDB
Teuthida	FooDB	USDA
Thalassiosiria pseudonana	-	KNApSAcK
Thelesperma	FooDB	FooDB
Thunnus albacares	FooDB	USDA
Thunnus thynnus	FooDB	USDA
Thymus pulegioides	FooDB	FooDB
Thymus vulgaris	FooDB	USDA
Tilia cordata	FooDB	FooDB
Tilia L.	FooDB	FooDB
Trachinotus carolinus	FooDB	USDA
Trachurus symmetricus	FooDB	USDA
Tragopogon porrifolius	FooDB	FooDB
Trifolium repens	LOTUS Database	35616633
Trigonella foenum-graecum	FooDB	FooDB
Triticum	FooDB	USDA
Triticum aestivum	FooDB	USDA
Triticum durum	FooDB	USDA
Triticum spelta	FooDB	USDA
Triticum turanicum	FooDB	USDA
Typha angustifolia	FooDB	USDA
Undaria pinnatifida	FooDB	USDA
Vaccinium	FooDB	FooDB
Vaccinium angustifolium	FooDB	FooDB
Vaccinium angustifolium X Vaccinium corymbosum	FooDB	FooDB
Vaccinium arboreum	FooDB	FooDB
Vaccinium corymbosum	FooDB	FooDB
Vaccinium deliciosum	FooDB	FooDB
Vaccinium elliottii	FooDB	FooDB
Vaccinium macrocarpon	FooDB	USDA
Vaccinium myrtilloides	FooDB	FooDB
Vaccinium myrtillus	FooDB	FooDB
Vaccinium ovalifolium	FooDB	USDA
Vaccinium ovatum	FooDB	FooDB
Vaccinium oxycoccos	FooDB	FooDB
Vaccinium parvifolium	FooDB	FooDB
Vaccinium reticulatum	FooDB	FooDB
Vaccinium stamineum	FooDB	FooDB
Vaccinium uliginosum	FooDB	FooDB
Vaccinium vitis-idaea	FooDB	FooDB
Valerianella locusta	FooDB	FooDB
Vanilla	FooDB	USDA
Verbena officinalis	FooDB	FooDB
Viburnum edule	FooDB	FooDB
Vicia faba	FooDB	USDA
Vigna aconitifolia	FooDB	FooDB
Vigna angularis	FooDB	FooDB
Vigna mungo	FooDB	USDA
Vigna radiata	FooDB	USDA
Vigna umbellata	FooDB	FooDB
Vigna unguiculata	FooDB	FooDB
Vigna unguiculata ssp. cylindrica	FooDB	FooDB
Vigna unguiculata ssp. unguiculata	FooDB	USDA
Vigna unguiculata var. sesquipedalis	FooDB	FooDB
Virola surinamensis	FooDB	USDA
Vitis	FooDB	USDA
Vitis aestivalis	FooDB	FooDB
Vitis labrusca	FooDB	FooDB
Vitis rotundifolia	FooDB	USDA
Vitis vinifera	LOTUS Database	35616633
Vitis vinifera L.	FooDB	FooDB
Xanthosoma sagittifolium	FooDB	FooDB
Xiphias gladius	FooDB	USDA
Zea mays L.	FooDB	USDA
Zingiber officinale	FooDB	USDA
Zizania	FooDB	USDA
Zizania aquatica	FooDB	FooDB
Ziziphus zizyphus	FooDB	FooDB

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as carotenes. These are a type of unsaturated hydrocarbons containing eight consecutive isoprene units. They are characterized by the presence of two end-groups (mostly cyclohexene rings, but also cyclopentene rings or acyclic groups) linked by a long branched alkyl chain. Carotenes belonging form a subgroup of the carotenoids family.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Tetraterpenoids

Direct Parent

Carotenes

Alternative Parents

Substituents

Carotene
Branched unsaturated hydrocarbon
Unsaturated aliphatic hydrocarbon
Unsaturated hydrocarbon
Olefin
Acyclic olefin
Hydrocarbon
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

acyclic carotene (CHEBI:15948 )
C40 isoprenoids (tetraterpenes) (C05432 )
Carotenoids (C05432 )
C40 isoprenoids (tetraterpenes) (LMPR01070257 )

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	9.16	ALOGPS
logP	11.93	ChemAxon
logS	-6.1	ALOGPS
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	0	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	0 Å²	ChemAxon
Rotatable Bond Count	16	ChemAxon
Refractivity	197.81 m³·mol⁻¹	ChemAxon
Polarizability	73.69 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

HMDB ID

HMDB0003000

DrugBank ID

DB11231

Phenol Explorer Compound ID

Not Available

FoodDB ID

FDB014534

KNApSAcK ID

C00000911

Chemspider ID

Not Available

KEGG Compound ID

C05432

BioCyc ID

CPD1F-114

BiGG ID

Not Available

Wikipedia Link

Lycopene

METLIN ID

Not Available

PubChem Compound

446925

PDB ID

Not Available

ChEBI ID

15948

Good Scents ID

Not Available

References

General References

Sengupta A, Das S: The anti-carcinogenic role of lycopene, abundantly present in tomato. Eur J Cancer Prev. 1999 Aug;8(4):325-30. doi: 10.1097/00008469-199908000-00009. [PubMed:10493308 ]
Porrini M, Riso P: Lymphocyte lycopene concentration and DNA protection from oxidative damage is increased in women after a short period of tomato consumption. J Nutr. 2000 Feb;130(2):189-92. doi: 10.1093/jn/130.2.189. [PubMed:10720168 ]
Bohm V, Bitsch R: Intestinal absorption of lycopene from different matrices and interactions to other carotenoids, the lipid status, and the antioxidant capacity of human plasma. Eur J Nutr. 1999 Jun;38(3):118-25. doi: 10.1007/s003940050052. [PubMed:10443333 ]
Stahl W, von Laar J, Martin HD, Emmerich T, Sies H: Stimulation of gap junctional communication: comparison of acyclo-retinoic acid and lycopene. Arch Biochem Biophys. 2000 Jan 1;373(1):271-4. doi: 10.1006/abbi.1999.1510. [PubMed:10620348 ]
Kravchenko LV, Morozov SV, Beketova NA, Deryagina VP, Avren'eva LI, Tutel'yan VA: Antioxidant status of rats receiving lycopene in different doses. Bull Exp Biol Med. 2003 Apr;135(4):353-7. doi: 10.1023/a:1024608730471. [PubMed:12910307 ]

Showing NP-Card for Lycopene (NP0044286)

MOL for NP0044286 (Lycopene)

3D MOL for NP0044286 (Lycopene)

3D SDF for NP0044286 (Lycopene)

3D-SDF for NP0044286 (Lycopene)

PDB for NP0044286 (Lycopene)

3D PDB for NP0044286 (Lycopene)

SMILES for NP0044286 (Lycopene)

INCHI for NP0044286 (Lycopene)

Structure for NP0044286 (Lycopene)

3D Structure for NP0044286 (Lycopene)