1.0 2016-09-30 23:02:54 UTC 2020-04-22 15:11:45 UTC BMDB0003146 BMDB03146 (3R,3'R,9-cis)-b,b-Carotene-3,3'-diol Zeaxanthin 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. Zeaxanthin is possibly soluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Zeaxanthin exists in all living organisms, ranging from bacteria to humans. (3R,3'r,9-cis)-b,b-Carotene-3,3'-diol (3R,3'r,9-cis)-Β,β-carotene-3,3'-diol (3R,3'r,9-cis)-Zeaxanthin (3R,3’R,9-cis)-zeaxanthin (3R,3’R,9-cis)-β,β-carotene-3,3’-diol (9Z)-Zeaxanthin 9-cis-Zeaxanthin Neozeaxanthin b (3R,3'R,9-cis)-beta,beta-Carotene-3,3'-diol C40H56O2 568.8714 568.428031036 (1R)-4-[(1E,3Z,5E,7E,9E,11E,13E,15E,17E)-18-[(4R)-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 (1R)-4-[(1E,3Z,5E,7E,9E,11E,13E,15E,17E)-18-[(4R)-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 60497-64-5 C/C(/C=C/C=C(/C)\C=C\C1=C(C)C[C@@H](O)CC1(C)C)=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C1=C(C)C[C@@H](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+/t35-,36-/m1/s1 JKQXZKUSFCKOGQ-IOAZSAMTSA-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. Organic compounds Lipids and lipid-like molecules Prenol lipids Tetraterpenoids Xanthophylls Hydrocarbon derivatives Secondary alcohols Alcohol Aliphatic homomonocyclic compound Hydrocarbon derivative Organic oxygen compound Organooxygen compound Secondary alcohol Xanthophyll Aliphatic homomonocyclic compounds Solid logp 8.30 ALOGPS logs -5.94 ALOGPS logp 8.35 ChemAxon pka_strongest_acidic 18.91 ChemAxon pka_strongest_basic -0.79 ChemAxon iupac (1R)-4-[(1E,3Z,5E,7E,9E,11E,13E,15E,17E)-18-[(4R)-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)C[C@@H](O)CC1(C)C)=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C1=C(C)C[C@@H](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+/t35-,36-/m1/s1 ChemAxon inchikey JKQXZKUSFCKOGQ-IOAZSAMTSA-N ChemAxon polar_surface_area 40.46 ChemAxon refractivity 194.95 ChemAxon polarizability 72.51 ChemAxon rotatable_bond_count 10 ChemAxon acceptor_count 2 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon number_of_rings 2 ChemAxon bioavailability 0 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::CMs 17744 Specdb::CMs 38531 Specdb::CMs 282207 Specdb::CMs 365825 Specdb::CMs 365826 Specdb::CMs 365827 Specdb::CMs 365828 Specdb::CMs 365829 Specdb::MsMs 305293 Specdb::MsMs 305294 Specdb::MsMs 305295 Specdb::MsMs 348679 Specdb::MsMs 348680 Specdb::MsMs 348681 Specdb::MsMs 2670801 Specdb::MsMs 2670802 Specdb::MsMs 2670803 Specdb::MsMs 3010554 Specdb::MsMs 3010555 Specdb::MsMs 3010556 10390741 FDB023113 21769059 881739