1.0 2010-04-08 22:12:06 UTC 2019-11-26 03:12:23 UTC FDB015885 Lycoxanthin 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. .psi.,.psi.-Caroten-16-ol 16-Hydroxylycopene Lycopen-16-ol Lycoxanthin psi,psi-caroten-1-ol y,y-Caroten-16-ol C40H56O 552.872 552.433116414 (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 (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 19891-74-8 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)CC\C=C(/C)CO 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+ IFTRFNLCKUZSNG-VKELBHSXSA-N belongs to the class of organic compounds known as xanthophylls. These 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. Xanthophylls Organic compounds Lipids and lipid-like molecules Prenol lipids Tetraterpenoids Aliphatic acyclic compounds Fatty alcohols Hydrocarbon derivatives Primary alcohols Alcohol Aliphatic acyclic compound Fatty acyl Fatty alcohol Hydrocarbon derivative Organic oxygen compound Organooxygen compound Primary alcohol Xanthophyll logp 8.76 ALOGPS logs -6.07 ALOGPS solubility 4.71e-04 g/l ALOGPS melting_point Mp 170° logp 10.65 ChemAxon pka_strongest_acidic 16.64 ChemAxon pka_strongest_basic -2.1 ChemAxon iupac (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 ChemAxon average_mass 552.872 ChemAxon mono_mass 552.433116414 ChemAxon 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)CC\C=C(/C)CO ChemAxon formula C40H56O ChemAxon 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+ ChemAxon inchikey IFTRFNLCKUZSNG-VKELBHSXSA-N ChemAxon polar_surface_area 20.23 ChemAxon refractivity 199.58 ChemAxon polarizability 69.59 ChemAxon rotatable_bond_count 17 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 98802 Specdb::MsMs 98803 Specdb::MsMs 98804 Specdb::MsMs 163809 Specdb::MsMs 163810 Specdb::MsMs 163811 Specdb::MsMs 3605872 Specdb::MsMs 3605873 Specdb::MsMs 3605874 Specdb::MsMs 3605875 Specdb::MsMs 3605876 Specdb::MsMs 3605877 6602 Eggplant Type 1 specific Solanum melongena 4111 Garden tomato (var.) Type 1 specific Solanum lycopersicum var. lycopersicum 397755