1.0 2010-04-08 22:12:33 UTC 2025-11-19 01:48:55 UTC FDB016646 Mutatoxanthin Poss. isolated from Prunus persica (peach) and Diospyros kaki (persimmon). Mutatoxanthin is found in many foods, some of which are sweet orange, orange bell pepper, yellow bell pepper, and common grape. (3S,3'R,5R)-5,8-Epoxy-5,8-dihydro-beta,beta-carotene-3,3'-diol 5,8-Epoxy-5,8-dihydro-b,b-carotene-3,3'-diol C40H56O3 584.8708 584.422945658 2-[(2E,4E,6E,8E,10E,12E,14E,16Z)-17-(4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)-6,11,15-trimethylheptadeca-2,4,6,8,10,12,14,16-octaen-2-yl]-4,4,7a-trimethyl-2,4,5,6,7,7a-hexahydro-1-benzofuran-6-ol 2-[(2E,4E,6E,8E,10E,12E,14E,16Z)-17-(4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)-6,11,15-trimethylheptadeca-2,4,6,8,10,12,14,16-octaen-2-yl]-4,4,7a-trimethyl-2,5,6,7-tetrahydro-1-benzofuran-6-ol 31661-06-0 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)CC(O)CC(C)(C)C2=C1 InChI=1S/C40H56O3/c1-28(17-13-18-30(3)21-22-35-32(5)23-33(41)25-38(35,6)7)15-11-12-16-29(2)19-14-20-31(4)36-24-37-39(8,9)26-34(42)27-40(37,10)43-36/h11-22,24,33-34,36,41-42H,23,25-27H2,1-10H3/b12-11+,17-13+,19-14+,22-21-,28-15+,29-16+,30-18+,31-20+ IFYMEZNJCAQUME-MTCCZOJNSA-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 Cyclic alcohols and derivatives Dialkyl ethers Dihydrofurans Hydrocarbon derivatives Oxacyclic compounds Secondary alcohols Alcohol Aliphatic heteropolycyclic compound Benzofuran Cyclic alcohol Dialkyl ether Dihydrofuran Ether Hydrocarbon derivative Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Secondary alcohol Xanthophyll logp 8.14 ALOGPS logs -5.99 ALOGPS solubility 5.92e-04 g/l ALOGPS melting_point Mp 171° logp 7.53 ChemAxon pka_strongest_acidic 15.13 ChemAxon pka_strongest_basic -1.1 ChemAxon iupac 2-[(2E,4E,6E,8E,10E,12E,14E,16Z)-17-(4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)-6,11,15-trimethylheptadeca-2,4,6,8,10,12,14,16-octaen-2-yl]-4,4,7a-trimethyl-2,4,5,6,7,7a-hexahydro-1-benzofuran-6-ol ChemAxon average_mass 584.8708 ChemAxon mono_mass 584.422945658 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)CC(O)CC(C)(C)C2=C1 ChemAxon formula C40H56O3 ChemAxon inchi InChI=1S/C40H56O3/c1-28(17-13-18-30(3)21-22-35-32(5)23-33(41)25-38(35,6)7)15-11-12-16-29(2)19-14-20-31(4)36-24-37-39(8,9)26-34(42)27-40(37,10)43-36/h11-22,24,33-34,36,41-42H,23,25-27H2,1-10H3/b12-11+,17-13+,19-14+,22-21-,28-15+,29-16+,30-18+,31-20+ ChemAxon inchikey IFYMEZNJCAQUME-MTCCZOJNSA-N ChemAxon polar_surface_area 49.69 ChemAxon refractivity 193.51 ChemAxon polarizability 72.57 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 22449 Specdb::CMs 45463 Specdb::CMs 282756 Specdb::CMs 407932 Specdb::CMs 407933 Specdb::CMs 407934 Specdb::CMs 407935 Specdb::CMs 407936 Specdb::MsMs 108684 Specdb::MsMs 108685 Specdb::MsMs 108686 Specdb::MsMs 175968 Specdb::MsMs 175969 Specdb::MsMs 175970 Specdb::MsMs 2672942 Specdb::MsMs 2672943 Specdb::MsMs 2672944 Specdb::MsMs 3032654 Specdb::MsMs 3032655 Specdb::MsMs 3032656 HMDB0037564 Common grape Type 1 specific Vitis vinifera 29760 Fruits Unknown generic Green bell pepper Type 1 specific Capsicum annuum 4072 Italian sweet red pepper Type 1 specific Capsicum annuum 4072 Orange bell pepper Type 1 specific Capsicum annuum 4072 Pepper Type 1 specific Capsicum annuum 4072 Red bell pepper Type 1 specific Capsicum annuum 4072 Star fruit Type 1 specific Averrhoa carambola 28974 1.515 1.515 1.515 mg/100 g Sweet orange Type 1 specific Citrus sinensis 2711 0.2 0.2 0.2 mg/100 g Yellow bell pepper Type 1 specific Capsicum annuum 4072