1.0 2016-09-30 23:01:31 UTC 2020-04-22 15:11:21 UTC BMDB0002746 BMDB02746 cis-5,6-Dihydro-5,6-dihydroxy-carotene C40H58O2 570.8873 570.4436811 (8E,10E,12E,14E,16Z,18E,20E,22E,24E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,8,10,12,14,16,18,20,22,24,26,30-dodecaene-6,7-diol (8E,10E,12E,14E,16Z,18E,20E,22E,24E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,8,10,12,14,16,18,20,22,24,26,30-dodecaene-6,7-diol 143167-26-4 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(O)C(C)(O)CCC=C(C)C InChI=1S/C40H58O2/c1-32(2)18-13-22-36(7)25-15-27-37(8)26-14-23-34(5)20-11-12-21-35(6)24-16-28-38(9)29-30-39(41)40(10,42)31-17-19-33(3)4/h11-12,14-16,18-21,23-30,39,41-42H,13,17,22,31H2,1-10H3/b12-11-,23-14+,24-16+,27-15+,30-29+,34-20+,35-21+,36-25+,37-26+,38-28+ BMVRDJXDSMPZGO-POVXXGCKSA-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 1,2-diols Fatty alcohols Hydrocarbon derivatives Secondary alcohols Tertiary alcohols 1,2-diol Alcohol Aliphatic acyclic compound Fatty acyl Fatty alcohol Hydrocarbon derivative Organic oxygen compound Organooxygen compound Secondary alcohol Tertiary alcohol Xanthophyll Aliphatic acyclic compounds Solid logp 8.16 ALOGPS logs -6.00 ALOGPS logp 10.03 ChemAxon pka_strongest_acidic 13.47 ChemAxon pka_strongest_basic -3.2 ChemAxon iupac (8E,10E,12E,14E,16Z,18E,20E,22E,24E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,8,10,12,14,16,18,20,22,24,26,30-dodecaene-6,7-diol ChemAxon average_mass 570.8873 ChemAxon mono_mass 570.4436811 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(O)C(C)(O)CCC=C(C)C ChemAxon formula C40H58O2 ChemAxon inchi InChI=1S/C40H58O2/c1-32(2)18-13-22-36(7)25-15-27-37(8)26-14-23-34(5)20-11-12-21-35(6)24-16-28-38(9)29-30-39(41)40(10,42)31-17-19-33(3)4/h11-12,14-16,18-21,23-30,39,41-42H,13,17,22,31H2,1-10H3/b12-11-,23-14+,24-16+,27-15+,30-29+,34-20+,35-21+,36-25+,37-26+,38-28+ ChemAxon inchikey BMVRDJXDSMPZGO-POVXXGCKSA-N ChemAxon polar_surface_area 40.46 ChemAxon refractivity 199.92 ChemAxon polarizability 74.06 ChemAxon rotatable_bond_count 17 ChemAxon acceptor_count 2 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon number_of_rings 0 ChemAxon bioavailability 0 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::CMs 24920 Specdb::CMs 38471 Specdb::CMs 282365 Specdb::CMs 369237 Specdb::CMs 369238 Specdb::CMs 369239 Specdb::CMs 369240 Specdb::CMs 369241 Specdb::MsMs 321211 Specdb::MsMs 321212 Specdb::MsMs 321213 Specdb::MsMs 368770 Specdb::MsMs 368771 Specdb::MsMs 368772 Specdb::MsMs 2445181 Specdb::MsMs 2445182 Specdb::MsMs 2445183 Specdb::MsMs 2516682 Specdb::MsMs 2516683 Specdb::MsMs 2516684 FDB023059 35013046 53477757