1.0 2011-03-17 23:25:27 UTC 2025-11-19 02:38:49 UTC FDB021643 (3R,3'R,15Z)-Zeaxanthin Beta,beta-carotene-3,3'-diol, also known as (3r,3's)-zeaxanthin or anchovixanthin, 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. Beta,beta-carotene-3,3'-diol is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). Beta,beta-carotene-3,3'-diol can be found in channel catfish, crustaceans, and fishes, which makes beta,beta-carotene-3,3'-diol a potential biomarker for the consumption of these food products. C40H56O2 568.8714 568.428031036 4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-(4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]-3,5,5-trimethylcyclohex-3-en-1-ol 4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-(4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]-3,5,5-trimethylcyclohex-3-en-1-ol C\C(\C=C\C=C(/C)\C=C\C1=C(C)CC(O)CC1(C)C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CC(O)CC1(C)C InChI=1S/C40H56O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-24,35-36,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+ JKQXZKUSFCKOGQ-DKLMTRRASA-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 homomonocyclic compounds Hydrocarbon derivatives Secondary alcohols Alcohol Aliphatic homomonocyclic compound Hydrocarbon derivative Organic oxygen compound Organooxygen compound Secondary alcohol Xanthophyll logp 8.30 ALOGPS logs -5.94 ALOGPS solubility 6.49e-04 g/l ALOGPS logp 8.35 ChemAxon pka_strongest_acidic 18.91 ChemAxon pka_strongest_basic -0.79 ChemAxon iupac 4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-(4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]-3,5,5-trimethylcyclohex-3-en-1-ol ChemAxon average_mass 568.8714 ChemAxon mono_mass 568.428031036 ChemAxon smiles C\C(\C=C\C=C(/C)\C=C\C1=C(C)CC(O)CC1(C)C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CC(O)CC1(C)C ChemAxon formula C40H56O2 ChemAxon inchi InChI=1S/C40H56O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-24,35-36,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+ ChemAxon inchikey JKQXZKUSFCKOGQ-DKLMTRRASA-N ChemAxon polar_surface_area 40.46 ChemAxon refractivity 194.95 ChemAxon polarizability 73.39 ChemAxon rotatable_bond_count 10 ChemAxon acceptor_count 2 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 21368 Specdb::CMs 44645 Specdb::CMs 282209 Specdb::CMs 365831 Specdb::CMs 365832 Specdb::CMs 365833 Specdb::MsMs 313525 Specdb::MsMs 313526 Specdb::MsMs 313527 Specdb::MsMs 359035 Specdb::MsMs 359036 Specdb::MsMs 359037 Specdb::MsMs 2465898 Specdb::MsMs 2465899 Specdb::MsMs 2465900 Specdb::MsMs 2497145 Specdb::MsMs 2497146 Specdb::MsMs 2497147 HMDB0035928 Green bell pepper Type 1 specific Capsicum annuum 4072 Orange bell pepper Type 1 specific Capsicum annuum 4072 Pepper Type 1 specific Capsicum annuum 4072 Red bell pepper Type 1 specific Capsicum annuum 4072 Yellow bell pepper Type 1 specific Capsicum annuum 4072