1.0 2010-04-08 22:12:15 UTC 2019-11-26 03:12:46 UTC FDB016116 Nigroxanthin Constituent of the ripe pods of red paprika Capsicum annuum variety longum. Nigroxanthin is found in many foods, some of which are green bell pepper, orange bell pepper, italian sweet red pepper, and fruits. (3R,6'S)-3',18'-Didehydro-beta,epsilon-carotene-3,6'-diol Nigroxanthin C40H54O2 566.8556 566.412380972 4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-(1-hydroxy-6,6-dimethyl-2-methylidenecyclohex-3-en-1-yl)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]-3,5,5-trimethylcyclohex-3-en-1-ol 4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-(1-hydroxy-6,6-dimethyl-2-methylidenecyclohex-3-en-1-yl)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]-3,5,5-trimethylcyclohex-3-en-1-ol 158312-69-7 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=CCC1(C)C InChI=1S/C40H54O2/c1-30(18-13-20-32(3)23-24-37-34(5)28-36(41)29-38(37,7)8)16-11-12-17-31(2)19-14-21-33(4)25-27-40(42)35(6)22-15-26-39(40,9)10/h11-25,27,36,41-42H,6,26,28-29H2,1-5,7-10H3/b12-11+,18-13+,19-14+,24-23+,27-25+,30-16+,31-17+,32-20+,33-21+ BYJIOUBZISYXSQ-JEFJXCMXSA-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 Tertiary alcohols Alcohol Aliphatic homomonocyclic compound Hydrocarbon derivative Organic oxygen compound Organooxygen compound Secondary alcohol Tertiary alcohol Xanthophyll logp 8.47 ALOGPS logs -5.90 ALOGPS solubility 7.13e-04 g/l ALOGPS logp 8.63 ChemAxon pka_strongest_acidic 18.91 ChemAxon pka_strongest_basic -0.51 ChemAxon iupac 4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-(1-hydroxy-6,6-dimethyl-2-methylidenecyclohex-3-en-1-yl)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]-3,5,5-trimethylcyclohex-3-en-1-ol ChemAxon average_mass 566.8556 ChemAxon mono_mass 566.412380972 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=CCC1(C)C ChemAxon formula C40H54O2 ChemAxon inchi InChI=1S/C40H54O2/c1-30(18-13-20-32(3)23-24-37-34(5)28-36(41)29-38(37,7)8)16-11-12-17-31(2)19-14-21-33(4)25-27-40(42)35(6)22-15-26-39(40,9)10/h11-25,27,36,41-42H,6,26,28-29H2,1-5,7-10H3/b12-11+,18-13+,19-14+,24-23+,27-25+,30-16+,31-17+,32-20+,33-21+ ChemAxon inchikey BYJIOUBZISYXSQ-JEFJXCMXSA-N ChemAxon polar_surface_area 40.46 ChemAxon refractivity 194.81 ChemAxon polarizability 72.64 ChemAxon rotatable_bond_count 10 ChemAxon acceptor_count 2 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 10492 Specdb::CMs 45248 Specdb::CMs 282154 Specdb::CMs 362724 Specdb::CMs 362725 Specdb::CMs 362726 Specdb::CMs 362727 Specdb::CMs 362728 Specdb::MsMs 73887 Specdb::MsMs 73888 Specdb::MsMs 73889 Specdb::MsMs 133143 Specdb::MsMs 133144 Specdb::MsMs 133145 Specdb::MsMs 2339124 Specdb::MsMs 2339125 Specdb::MsMs 2339126 Specdb::MsMs 2625917 Specdb::MsMs 2625918 Specdb::MsMs 2625919 HMDB37122 #<Reference:0x000055ce318360a8> 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