1.0 2010-04-08 22:12:04 UTC 2019-11-26 03:12:17 UTC FDB015825 Cryptoflavin Constituent of persimmon (Diospyros kaki), star fruit (Averrhoa carambola), orange (Citrus sinensis) and alfalfa (Medicago) subspecies Poss. isolated from peach (Prunus persica). Cryptoflavin is found in papaya, citrus, and fruits. 5,8-Epoxy-5,8-dihydro-b,b-caroten-3-ol Cryptoxanthin 5,8-epoxide C40H56O2 568.8714 568.428031036 4-[(1E,3E,5E,7E,9E,11E,13E,15E)-16-(4,4,7a-trimethyl-2,4,5,6,7,7a-hexahydro-1-benzofuran-2-yl)-3,7,12-trimethylheptadeca-1,3,5,7,9,11,13,15-octaen-1-yl]-3,5,5-trimethylcyclohex-3-en-1-ol 4-[(1E,3E,5E,7E,9E,11E,13E,15E)-16-(4,4,7a-trimethyl-2,5,6,7-tetrahydro-1-benzofuran-2-yl)-3,7,12-trimethylheptadeca-1,3,5,7,9,11,13,15-octaen-1-yl]-3,5,5-trimethylcyclohex-3-en-1-ol 30311-63-8 C\C(\C=C\C=C(/C)\C=C\C1=C(C)CC(O)CC1(C)C)=C/C=C/C=C(\C)/C=C/C=C(\C)C1OC2(C)CCCC(C)(C)C2=C1 InChI=1S/C40H56O2/c1-29(18-13-19-31(3)22-23-35-33(5)26-34(41)28-39(35,8)9)16-11-12-17-30(2)20-14-21-32(4)36-27-37-38(6,7)24-15-25-40(37,10)42-36/h11-14,16-23,27,34,36,41H,15,24-26,28H2,1-10H3/b12-11+,18-13+,20-14+,23-22+,29-16+,30-17+,31-19+,32-21+ WEJIOGMJJWSQFC-NNAJIMERSA-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 heteropolycyclic compounds Benzofurans Dialkyl ethers Dihydrofurans Hydrocarbon derivatives Oxacyclic compounds Secondary alcohols Alcohol Aliphatic heteropolycyclic compound Benzofuran Dialkyl ether Dihydrofuran Ether Hydrocarbon derivative Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Secondary alcohol Xanthophyll Solid logp 9.03 ALOGPS logs -6.07 ALOGPS solubility 4.81e-04 g/l ALOGPS melting_point Mp 171° logp 8.99 ChemAxon pka_strongest_acidic 18.91 ChemAxon pka_strongest_basic -1.1 ChemAxon iupac 4-[(1E,3E,5E,7E,9E,11E,13E,15E)-16-(4,4,7a-trimethyl-2,4,5,6,7,7a-hexahydro-1-benzofuran-2-yl)-3,7,12-trimethylheptadeca-1,3,5,7,9,11,13,15-octaen-1-yl]-3,5,5-trimethylcyclohex-3-en-1-ol ChemAxon average_mass 568.8714 ChemAxon mono_mass 568.428031036 ChemAxon smiles C\C(\C=C\C=C(/C)\C=C\C1=C(C)CC(O)CC1(C)C)=C/C=C/C=C(\C)/C=C/C=C(\C)C1OC2(C)CCCC(C)(C)C2=C1 ChemAxon formula C40H56O2 ChemAxon inchi InChI=1S/C40H56O2/c1-29(18-13-19-31(3)22-23-35-33(5)26-34(41)28-39(35,8)9)16-11-12-17-30(2)20-14-21-32(4)36-27-37-38(6,7)24-15-25-40(37,10)42-36/h11-14,16-23,27,34,36,41H,15,24-26,28H2,1-10H3/b12-11+,18-13+,20-14+,23-22+,29-16+,30-17+,31-19+,32-21+ ChemAxon inchikey WEJIOGMJJWSQFC-NNAJIMERSA-N ChemAxon polar_surface_area 29.46 ChemAxon refractivity 191.89 ChemAxon polarizability 73.33 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 26077 Specdb::CMs 45092 Specdb::CMs 282210 Specdb::CMs 365834 Specdb::MsMs 92313 Specdb::MsMs 92314 Specdb::MsMs 92315 Specdb::MsMs 155907 Specdb::MsMs 155908 Specdb::MsMs 155909 Specdb::MsMs 2426296 Specdb::MsMs 2426297 Specdb::MsMs 2426298 Specdb::MsMs 2509885 Specdb::MsMs 2509886 Specdb::MsMs 2509887 HMDB36870 #<Reference:0x000055ce31fdda90> Citrus Unknown generic Fruits Unknown generic Papaya Type 1 specific Carica papaya 3649