(2E,6E,8E,10E,12Z,14E,16E,18E,20Z,22E,24E,26Z)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,24,26,30-tridecaen-1-ol
PubChem CID: 157010076
Connections displayed (default: 10).
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| Topological Polar Surface Area | 20.2 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Inchi Key | IFTRFNLCKUZSNG-VKELBHSXSA-N |
| Rotatable Bond Count | 17.0 |
| Synonyms | .psi.,.psi.-Caroten-16-ol, 16-Hydroxylycopene, Lycopen-16-ol, Lycoxanthin, psi,psi-caroten-1-ol, y,y-Caroten-16-ol |
| Heavy Atom Count | 41.0 |
| Compound Name | (2E,6E,8E,10E,12Z,14E,16E,18E,20Z,22E,24E,26Z)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,24,26,30-tridecaen-1-ol |
| Description | Lycoxanthin is a member of the class of compounds known as xanthophylls. Xanthophylls are carotenoids containing an oxygenated carotene backbone. Carotenes 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. Xanthophylls arise by oxygenation of the carotene backbone. Lycoxanthin is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). Lycoxanthin can be found in eggplant and garden tomato (variety), which makes lycoxanthin a potential biomarker for the consumption of these food products. |
| Exact Mass | 552.433 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 552.433 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 1170.0 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 552.9 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (2E,6E,8E,10E,12Z,14E,16E,18E,20Z,22E,24E,26Z)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,24,26,30-tridecaen-1-ol |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 12.0 |
| Inchi | InChI=1S/C40H56O/c1-33(2)18-12-21-36(5)24-15-27-37(6)25-13-22-34(3)19-10-11-20-35(4)23-14-26-38(7)28-16-29-39(8)30-17-31-40(9)32-41/h10-11,13-16,18-20,22-29,31,41H,12,17,21,30,32H2,1-9H3/b11-10+,22-13-,23-14-,27-15+,28-16+,34-19+,35-20+,36-24-,37-25+,38-26+,39-29+,40-31+ |
| Smiles | CC(=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)\CC/C=C(\C)/CO)/C)\C)/C)C |
| Xlogp | 14.3 |
| Defined Bond Stereocenter Count | 12.0 |
| Molecular Formula | C40H56O |
- 1. Outgoing r'ship
FOUND_INto/from Lycopersicon Esculentum (Plant) Rel Props:Source_db:fooddb_chem_all - 2. Outgoing r'ship
FOUND_INto/from Solanum Melongena (Plant) Rel Props:Source_db:fooddb_chem_all