1.0 2010-04-08 22:07:33 UTC 2019-11-26 03:01:36 UTC FDB007323 6'-Hydroxylutein 6'-hydroxylutein is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 6'-hydroxylutein can be found in common thyme, which makes 6'-hydroxylutein a potential biomarker for the consumption of this food product. 6-HYDROXY-LUTEIN C40H56O3 584.8708 584.422945658 (1S,4R)-1-[(1E,3E,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]-2,6,6-trimethylcyclohex-2-ene-1,4-diol (1S,4R)-1-[(1E,3E,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]-2,6,6-trimethylcyclohex-2-ene-1,4-diol O[C@@H]1CC(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@@]2(O)C(C)=C[C@H](O)CC2(C)C)C(C)(C)C1 InChI=1S/C40H56O3/c1-29(17-13-19-31(3)21-22-37-33(5)25-35(41)27-38(37,7)8)15-11-12-16-30(2)18-14-20-32(4)23-24-40(43)34(6)26-36(42)28-39(40,9)10/h11-24,26,35-36,41-43H,25,27-28H2,1-10H3/b12-11+,17-13+,18-14+,22-21+,24-23+,29-15+,30-16+,31-19+,32-20+/t35-,36+,40-/m1/s1 SYNAJGXENWULAN-TURNOCAQSA-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 Tertiary alcohols Alcohol Aliphatic homomonocyclic compound Hydrocarbon derivative Organic oxygen compound Organooxygen compound Secondary alcohol Tertiary alcohol Xanthophyll logp 7.63 ALOGPS logs -5.88 ALOGPS solubility 7.71e-04 g/l ALOGPS logp 7.7 ChemAxon pka_strongest_acidic 13.43 ChemAxon pka_strongest_basic -1.1 ChemAxon iupac (1S,4R)-1-[(1E,3E,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]-2,6,6-trimethylcyclohex-2-ene-1,4-diol ChemAxon average_mass 584.8708 ChemAxon mono_mass 584.422945658 ChemAxon smiles O[C@@H]1CC(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@@]2(O)C(C)=C[C@H](O)CC2(C)C)C(C)(C)C1 ChemAxon formula C40H56O3 ChemAxon inchi InChI=1S/C40H56O3/c1-29(17-13-19-31(3)21-22-37-33(5)25-35(41)27-38(37,7)8)15-11-12-16-30(2)18-14-20-32(4)23-24-40(43)34(6)26-36(42)28-39(40,9)10/h11-24,26,35-36,41-43H,25,27-28H2,1-10H3/b12-11+,17-13+,18-14+,22-21+,24-23+,29-15+,30-16+,31-19+,32-20+/t35-,36+,40-/m1/s1 ChemAxon inchikey SYNAJGXENWULAN-TURNOCAQSA-N ChemAxon polar_surface_area 60.69 ChemAxon refractivity 196.28 ChemAxon polarizability 74.22 ChemAxon rotatable_bond_count 10 ChemAxon acceptor_count 3 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 83898 Specdb::MsMs 83899 Specdb::MsMs 83900 Specdb::MsMs 145608 Specdb::MsMs 145609 Specdb::MsMs 145610 Specdb::MsMs 3603917 Specdb::MsMs 3603918 Specdb::MsMs 3603919 Specdb::MsMs 3603920 Specdb::MsMs 3603921 Specdb::MsMs 3603922 Common thyme Type 1 specific Thymus vulgaris 49992