1.0 2010-04-08 22:15:02 UTC 2019-11-26 03:18:57 UTC FDB020451 Idoxanthin Isolated from Japanese sandfish and marine fish-eggs. Postulated metabolite production of Astaxanthin <ht>LMC61-X</ht> in mackerel eggs. Idoxanthin is found in common carp and fishes. 3,3',4'-Trihydroxy-beta,beta-caroten-4-one Idoxanthin C40H54O4 598.8544 598.402210216 3-[(1E,3Z,5Z,7Z,9E,11E,13Z,15Z,17E)-18-(3,4-dihydroxy-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]-6-hydroxy-2,4,4-trimethylcyclohex-2-en-1-one 3-[(1E,3Z,5Z,7Z,9E,11E,13Z,15Z,17E)-18-(3,4-dihydroxy-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]-6-hydroxy-2,4,4-trimethylcyclohex-2-en-1-one 97169-13-6 C\C(\C=C/C=C(/C)\C=C\C1=C(C)C(O)C(O)CC1(C)C)=C/C=C/C=C(/C)\C=C/C=C(/C)\C=C\C1=C(C)C(=O)C(O)CC1(C)C InChI=1S/C40H54O4/c1-27(17-13-19-29(3)21-23-33-31(5)37(43)35(41)25-39(33,7)8)15-11-12-16-28(2)18-14-20-30(4)22-24-34-32(6)38(44)36(42)26-40(34,9)10/h11-24,35-37,41-43H,25-26H2,1-10H3/b12-11+,17-13-,18-14-,23-21+,24-22+,27-15+,28-16-,29-19-,30-20- DNKQGUYVWUAYIE-BNNCDEBLSA-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 Cyclohexenones Hydrocarbon derivatives Organic oxides Secondary alcohols Alcohol Aliphatic homomonocyclic compound Carbonyl group Cyclic ketone Cyclohexenone Hydrocarbon derivative Ketone Organic oxide Organic oxygen compound Organooxygen compound Secondary alcohol Xanthophyll logp 7.28 ALOGPS logs -5.88 ALOGPS solubility 7.84e-04 g/l ALOGPS logp 7.28 ChemAxon pka_strongest_acidic 13.12 ChemAxon pka_strongest_basic -3.2 ChemAxon iupac 3-[(1E,3Z,5Z,7Z,9E,11E,13Z,15Z,17E)-18-(3,4-dihydroxy-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]-6-hydroxy-2,4,4-trimethylcyclohex-2-en-1-one ChemAxon average_mass 598.8544 ChemAxon mono_mass 598.402210216 ChemAxon smiles C\C(\C=C/C=C(/C)\C=C\C1=C(C)C(O)C(O)CC1(C)C)=C/C=C/C=C(/C)\C=C/C=C(/C)\C=C\C1=C(C)C(=O)C(O)CC1(C)C ChemAxon formula C40H54O4 ChemAxon inchi InChI=1S/C40H54O4/c1-27(17-13-19-29(3)21-23-33-31(5)37(43)35(41)25-39(33,7)8)15-11-12-16-28(2)18-14-20-30(4)22-24-34-32(6)38(44)36(42)26-40(34,9)10/h11-24,35-37,41-43H,25-26H2,1-10H3/b12-11+,17-13-,18-14-,23-21+,24-22+,27-15+,28-16-,29-19-,30-20- ChemAxon inchikey DNKQGUYVWUAYIE-BNNCDEBLSA-N ChemAxon polar_surface_area 77.76 ChemAxon refractivity 196.67 ChemAxon polarizability 73.1 ChemAxon rotatable_bond_count 10 ChemAxon acceptor_count 4 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 324562 Specdb::MsMs 324563 Specdb::MsMs 324564 Specdb::MsMs 373000 Specdb::MsMs 373001 Specdb::MsMs 373002 Specdb::MsMs 2386742 Specdb::MsMs 2386743 Specdb::MsMs 2386744 Specdb::MsMs 2579259 Specdb::MsMs 2579260 Specdb::MsMs 2579261 Specdb::CMs 26413 Specdb::CMs 462618 Specdb::CMs 462619 Specdb::CMs 462620 Specdb::CMs 462621 Specdb::CMs 462622 Specdb::CMs 462623 Specdb::CMs 462624 Specdb::CMs 462625 Specdb::CMs 462626 Specdb::CMs 462627 Specdb::CMs 462628 Specdb::CMs 462629 Specdb::CMs 462630 Specdb::CMs 462631 Specdb::CMs 462632 Specdb::CMs 462633 Specdb::CMs 462634 Specdb::CMs 462635 Specdb::CMs 462636 Specdb::CMs 462637 Specdb::CMs 462638 Specdb::CMs 462639 Specdb::CMs 462640 Specdb::CMs 462641 HMDB40656 #<Reference:0x000055ce31e9abd8> Common carp Type 1 specific Cyprinus carpio 7962 Fishes Unknown generic