1.02010-04-08 22:13:48 UTC2018-05-29 01:37:36 UTCFDB018591CalthaxanthinIsolated from plants and animals (e.g. Potamon dehaari, Yellowtail Fish)
(3R,3'S,6'R)-Carotene-3,3'-diol is a carotenoid found in human fluids.; Carotenoids are isoprenoid molecules that are widespread in nature and are typically seen as pigments in fruits, flowers, birds and crustacea. Animals are unable to synthesise carotenoids de novo, and rely upon the diet as a source of these compounds. Over recent years there has been considerable interest in dietary carotenoids with respect to their potential in alleviating age-related diseases in humans. This attention has been mirrored by significant advances in cloning most of the carotenoid genes and in the genetic manipulation of crop plants with the intention of increasing levels in the diet. Studies have shown an inverse relationship between the consumption of certain fruits and vegetables and the risk of epithelial cancer. Since carotenoids are among the micronutrients found in cancer preventive foods, detailed qualitative and quantitative determination of these compounds, particularly in fruits and vegetables and in human plasma, have recently become increasingly important. (PMID: 1416048, 15003396)(3R,3'S,6'R)-beta,epsilon-Carotene-3,3'-diol3'-EpiluteinCalthaxanthinLutein BC40H56O2568.8714568.4280310364-[(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-2-en-1-olxanthophyll52842-48-5C\C(\C=C\C=C(/C)\C=C\C1C(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)CInChI=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/h11-25,35-37,41-42H,26-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+KBPHJBAIARWVSC-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.XanthophyllsOrganic compoundsLipids and lipid-like moleculesPrenol lipidsTetraterpenoidsAliphatic homomonocyclic compoundsHydrocarbon derivativesSecondary alcoholsAlcoholAliphatic homomonocyclic compoundHydrocarbon derivativeOrganic oxygen compoundOrganooxygen compoundSecondary alcoholXanthophyllSolidlogp8.29logs-5.89solubility7.32e-04 g/lmelting_pointMp 162-163°logp8.55pka_strongest_acidic18.22pka_strongest_basic-0.91iupac4-[(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-2-en-1-olaverage_mass568.8714mono_mass568.428031036smilesC\C(\C=C\C=C(/C)\C=C\C1C(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)CformulaC40H56O2inchiInChI=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/h11-25,35-37,41-42H,26-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+inchikeyKBPHJBAIARWVSC-DKLMTRRASA-Npolar_surface_area40.46refractivity195.06polarizability72.79rotatable_bond_count10acceptor_count2donor_count2physiological_charge0formal_charge0Specdb::CMs25096Specdb::CMs40268Specdb::MsMs107628Specdb::MsMs107629Specdb::MsMs107630Specdb::MsMs174642Specdb::MsMs174643Specdb::MsMs174644HMDB03415#<Reference:0x0000555675d50108>#<Reference:0x0000555675d4fe10>