1.0 2010-04-08 22:15:02 UTC 2019-11-26 03:18:56 UTC FDB020444 5,6-Diepikarpoxanthin Isolated from Capsicum annuum (red paprika pods). 5,6-Diepikarpoxanthin is found in many foods, some of which are orange bell pepper, red bell pepper, yellow bell pepper, and italian sweet red pepper. (3S,3'R,5S,6S)-5,6-Dihydro-3,3',5,6-tetrahydroxy-beta,beta-carotene 5,6-Diepikarpoxanthin C40H58O4 602.8861 602.433510344 1-[(1E,3Z,5Z,7E,9Z,11E,13Z,15Z,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]-2,6,6-trimethylcyclohexane-1,2,4-triol 1-[(1E,3Z,5Z,7E,9Z,11E,13Z,15Z,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]-2,6,6-trimethylcyclohexane-1,2,4-triol 99664-48-9 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)\C=C\C1(O)C(C)(C)CC(O)CC1(C)O InChI=1S/C40H58O4/c1-29(17-13-19-31(3)21-22-36-33(5)25-34(41)26-37(36,6)7)15-11-12-16-30(2)18-14-20-32(4)23-24-40(44)38(8,9)27-35(42)28-39(40,10)43/h11-24,34-35,41-44H,25-28H2,1-10H3/b12-11-,17-13-,18-14-,22-21+,24-23+,29-15+,30-16+,31-19-,32-20- DJOWTWWHMWQATC-CRLQYGKHSA-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 Cyclitols and derivatives Cyclohexanols Hydrocarbon derivatives Polyols Tertiary alcohols Alcohol Aliphatic homomonocyclic compound Cyclic alcohol Cyclitol or derivatives Cyclohexanol Hydrocarbon derivative Organic oxygen compound Organooxygen compound Polyol Secondary alcohol Tertiary alcohol Xanthophyll logp 7.00 ALOGPS logs -5.73 ALOGPS solubility 1.13e-03 g/l ALOGPS melting_point Mp 150° logp 6.64 ChemAxon pka_strongest_acidic 12.91 ChemAxon pka_strongest_basic -1.1 ChemAxon iupac 1-[(1E,3Z,5Z,7E,9Z,11E,13Z,15Z,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]-2,6,6-trimethylcyclohexane-1,2,4-triol ChemAxon average_mass 602.8861 ChemAxon mono_mass 602.433510344 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)\C=C\C1(O)C(C)(C)CC(O)CC1(C)O ChemAxon formula C40H58O4 ChemAxon inchi InChI=1S/C40H58O4/c1-29(17-13-19-31(3)21-22-36-33(5)25-34(41)26-37(36,6)7)15-11-12-16-30(2)18-14-20-32(4)23-24-40(44)38(8,9)27-35(42)28-39(40,10)43/h11-24,34-35,41-44H,25-28H2,1-10H3/b12-11-,17-13-,18-14-,22-21+,24-23+,29-15+,30-16+,31-19-,32-20- ChemAxon inchikey DJOWTWWHMWQATC-CRLQYGKHSA-N ChemAxon polar_surface_area 80.92 ChemAxon refractivity 197.15 ChemAxon polarizability 73.9 ChemAxon rotatable_bond_count 10 ChemAxon acceptor_count 4 ChemAxon donor_count 4 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 67110 Specdb::MsMs 67111 Specdb::MsMs 67112 Specdb::MsMs 124845 Specdb::MsMs 124846 Specdb::MsMs 124847 Specdb::MsMs 2828271 Specdb::MsMs 2828272 Specdb::MsMs 2828273 Specdb::MsMs 2851009 Specdb::MsMs 2851010 Specdb::MsMs 2851011 Specdb::CMs 10942 Specdb::CMs 44119 Specdb::CMs 474559 Specdb::CMs 474560 Specdb::CMs 474561 Specdb::CMs 474562 Specdb::CMs 474563 Specdb::CMs 474564 Specdb::CMs 474565 Specdb::CMs 474566 Specdb::CMs 474567 Specdb::CMs 474568 Specdb::CMs 474569 Specdb::CMs 474570 Specdb::CMs 474571 Specdb::CMs 474572 Specdb::CMs 474573 Specdb::CMs 474574 Specdb::CMs 474575 Specdb::CMs 474576 Specdb::CMs 474577 Specdb::CMs 474578 Specdb::CMs 474579 Specdb::CMs 474580 Specdb::CMs 474581 HMDB34977 #<Reference:0x000055ce323d1980> Fruits Unknown generic Green bell pepper Type 1 specific Capsicum annuum 4072 Herbs and Spices Unknown generic Italian sweet red pepper Type 1 specific Capsicum annuum 4072 Orange bell pepper Type 1 specific Capsicum annuum 4072 Red bell pepper Type 1 specific Capsicum annuum 4072 Yellow bell pepper Type 1 specific Capsicum annuum 4072