1.0 2020-04-02 17:37:38 UTC 2025-11-19 03:07:43 UTC FDB097254 Cryptoxanthin-alpha C40H56O 552.887 552.433116423 (1R,4R)-3,5,5-trimethyl-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohex-1-en-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]cyclohex-2-en-1-ol (1R,4R)-3,5,5-trimethyl-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohex-1-en-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]cyclohex-2-en-1-ol C\C(\C=C\C=C(/C)\C=C\[C@H]1C(C)=C[C@H](O)CC1(C)C)=C/C=C/C=C(\C)/C=C/C=C(\C)C=CC1=C(C)CCCC1(C)C InChI=1S/C40H56O/c1-30(18-13-20-32(3)23-25-37-34(5)22-15-27-39(37,7)8)16-11-12-17-31(2)19-14-21-33(4)24-26-38-35(6)28-36(41)29-40(38,9)10/h11-14,16-21,23-26,28,36,38,41H,15,22,27,29H2,1-10H3/b12-11+,18-13+,19-14+,25-23?,26-24+,30-16+,31-17+,32-20+,33-21+/t36-,38-/m0/s1 ORAKUVXRZWMARG-AALGFZACSA-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 carotenol logp 9.10 ALOGPS logs -6.03 ALOGPS solubility 5.14e-04 g/l ALOGPS logp 9.94 ChemAxon pka_strongest_acidic 18.22 ChemAxon pka_strongest_basic -1.4 ChemAxon iupac (1R,4R)-3,5,5-trimethyl-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohex-1-en-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]cyclohex-2-en-1-ol ChemAxon average_mass 552.887 ChemAxon mono_mass 552.433116423 ChemAxon smiles C\C(\C=C\C=C(/C)\C=C\[C@H]1C(C)=C[C@H](O)CC1(C)C)=C/C=C/C=C(\C)/C=C/C=C(\C)C=CC1=C(C)CCCC1(C)C ChemAxon formula C40H56O ChemAxon inchi InChI=1S/C40H56O/c1-30(18-13-20-32(3)23-25-37-34(5)22-15-27-39(37,7)8)16-11-12-17-31(2)19-14-21-33(4)24-26-38-35(6)28-36(41)29-40(38,9)10/h11-14,16-21,23-26,28,36,38,41H,15,22,27,29H2,1-10H3/b12-11+,18-13+,19-14+,25-23?,26-24+,30-16+,31-17+,32-20+,33-21+/t36-,38-/m0/s1 ChemAxon inchikey ORAKUVXRZWMARG-AALGFZACSA-N ChemAxon polar_surface_area 20.23 ChemAxon refractivity 193.39 ChemAxon polarizability 72.65 ChemAxon rotatable_bond_count 10 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 239710 Specdb::MsMs 239711 Specdb::MsMs 239712 Specdb::MsMs 241765 Specdb::MsMs 241766 Specdb::MsMs 241767 Apricot Type 1 specific Prunus armeniaca 36596 Avocado Type 1 specific Persea americana 3435 Corn Type 1 specific Zea mays 4577 Grapefruit Type 1 specific Citrus X paradisi 37656 Milk (Cow) Type 2 specific 199.885 450.0 0.54 uM