Lycopene
precursor biomarker
Showing entry for Lycopene
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
Structure for Lycopene
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
External Links
- ChEBI
- 15948
- ChEBI
- 62466
- PubChem
- 446925
- Chemistry Dashboard
- DTXSID2046593
- KNApSAcK
- C00000911
- MetaboLights
- MTBLC15948
- Exposome Explorer
- 86
Taxonomy as Food Phytochemical
- 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 from Phytohub
Food Sources
Role as Biomarker of intake
Metabolism
No metabolism information available
Inter-Individual Variations in Metabolism
No data on inter-individual variations available