Identification

PhytoHub ID
PHUB000363
Name
Lycopene
Systematic Name
Not Available
Synonyms
  • all-trans lycopene
CAS Number
Not Available
Average Mass
536.888
Monoisotopic Mass
536.438201803
Chemical Formula
C40H56
IUPAC Name
(6E,8E,10E,12E,14Z,16Z,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
InChI Key
OAIJSZIZWZSQBC-BOJOQWLHSA-N
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+
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
Structure

Calculated Properties

Solubility (ALOGPS)
3.97e-04 g/l
LogS (ALOGPS)
-6.13
LogP (ALOGPS)
9.16
Hydrogen Acceptors
0
Hydrogen Donors
0
Rotatable Bond Count
16
Polar Surface Area
0.0
Refractivity
197.80600000000007
Polarizability
72.50914158500649
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
Not Available
pKa (strongest acidic)
Not Available
Number of Rings
0
Rule of Five
No
Bioavailability
No
Ghose Filter
No
Veber's Rule
No
MDDR-like Rule
No

Taxonomy

Family
Terpenoids
Class
Carotenoids
Sub-class
Not Available

Classyfire Taxonomy

Kingdom Name
Organic compounds
Class
Prenol lipids
Super-class
Lipids and lipid-like molecules
Sub-class
Tetraterpenoids
Direct Parent Name
Carotenes
Alternative Parent Names
["Acyclic olefins", "Branched unsaturated hydrocarbons", "Unsaturated aliphatic hydrocarbons"]
External Descriptor Annotations
Not Available
Substituent Names
["Acyclic olefin", "Aliphatic acyclic compound", "Branched unsaturated hydrocarbon", "Carotene", "Hydrocarbon", "Olefin", "Unsaturated aliphatic hydrocarbon", "Unsaturated hydrocarbon"]

Spectra

No spectra information available

Food Sources

NameGroup
Cherry tomatoVegetables, Fruit vegetables PublicationsShow
FigFruit, Other fruits PublicationsShow
GuavaFruit, Tropical fruits PublicationsShow
KetchupCondiments and seasonings PublicationsShow
MangoFruit, Tropical fruits PublicationsShow
PapayaFruit, Tropical fruits PublicationsShow
PersimmonHerbs and Spices PublicationsShow
PineappleFruit, Tropical fruits PublicationsShow
PumpkinVegetables, Gourds PublicationsShow
TomatoVegetables, Fruit vegetables PublicationsShow
WatermelonVegetables, Gourds PublicationsShow

Metabolism

No metabolism information available

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