1.0 2010-04-08 22:12:06 UTC 2019-11-26 03:12:22 UTC FDB015877 Capsochrome Constituent of red paprika (Capsicum annuum). Capsochrome is found in many foods, some of which are orange bell pepper, red bell pepper, pepper (c. annuum), and herbs and spices. 5,8-Epoxy-5,8-dihydro-3,3'-dihydroxy-b,k-caroten-6'-one C40H56O4 600.8702 600.41786028 (2E,4Z,6Z,8E,10Z,12E,14E,16Z)-1-(4-hydroxy-1,2,2-trimethylcyclopentyl)-17-(6-hydroxy-4,4,7a-trimethyl-2,4,5,6,7,7a-hexahydro-1-benzofuran-2-yl)-4,8,12-trimethyloctadeca-2,4,6,8,10,12,14,16-octaen-1-one (2E,4Z,6Z,8E,10Z,12E,14E,16Z)-1-(4-hydroxy-1,2,2-trimethylcyclopentyl)-17-(6-hydroxy-4,4,7a-trimethyl-2,5,6,7-tetrahydro-1-benzofuran-2-yl)-4,8,12-trimethyloctadeca-2,4,6,8,10,12,14,16-octaen-1-one 104012-89-7 C/C(/C=C\C=C(/C)\C=C/C=C(/C)\C=C\C(=O)C1(C)CC(O)CC1(C)C)=C\C=C\C=C(\C)C1OC2(C)CC(O)CC(C)(C)C2=C1 InChI=1S/C40H56O4/c1-28(15-11-12-20-31(4)34-23-35-37(5,6)24-32(41)27-40(35,10)44-34)16-13-17-29(2)18-14-19-30(3)21-22-36(43)39(9)26-33(42)25-38(39,7)8/h11-23,32-34,41-42H,24-27H2,1-10H3/b12-11+,16-13-,18-14-,22-21+,28-15+,29-17+,30-19-,31-20- PLVBBQBJTBWTDY-XGNSBGGRSA-N belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units. Triterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Triterpenoids Aliphatic heteropolycyclic compounds Acryloyl compounds Benzofurans Cyclic alcohols and derivatives Cyclopentanols Dialkyl ethers Dihydrofurans Enones Hydrocarbon derivatives Ketones Organic oxides Oxacyclic compounds Acryloyl-group Alcohol Aliphatic heteropolycyclic compound Alpha,beta-unsaturated ketone Benzofuran Carbonyl group Cyclic alcohol Cyclopentanol Dialkyl ether Dihydrofuran Enone Ether Hydrocarbon derivative Ketone Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Secondary alcohol Triterpenoid logp 7.83 ALOGPS logs -5.91 ALOGPS solubility 7.34e-04 g/l ALOGPS melting_point Mp 180-182° (195°) logp 7.69 ChemAxon pka_strongest_acidic 14.87 ChemAxon pka_strongest_basic -2.7 ChemAxon iupac (2E,4Z,6Z,8E,10Z,12E,14E,16Z)-1-(4-hydroxy-1,2,2-trimethylcyclopentyl)-17-(6-hydroxy-4,4,7a-trimethyl-2,4,5,6,7,7a-hexahydro-1-benzofuran-2-yl)-4,8,12-trimethyloctadeca-2,4,6,8,10,12,14,16-octaen-1-one ChemAxon average_mass 600.8702 ChemAxon mono_mass 600.41786028 ChemAxon smiles C/C(/C=C\C=C(/C)\C=C/C=C(/C)\C=C\C(=O)C1(C)CC(O)CC1(C)C)=C\C=C\C=C(\C)C1OC2(C)CC(O)CC(C)(C)C2=C1 ChemAxon formula C40H56O4 ChemAxon inchi InChI=1S/C40H56O4/c1-28(15-11-12-20-31(4)34-23-35-37(5,6)24-32(41)27-40(35,10)44-34)16-13-17-29(2)18-14-19-30(3)21-22-36(43)39(9)26-33(42)25-38(39,7)8/h11-23,32-34,41-42H,24-27H2,1-10H3/b12-11+,16-13-,18-14-,22-21+,28-15+,29-17+,30-19-,31-20- ChemAxon inchikey PLVBBQBJTBWTDY-XGNSBGGRSA-N ChemAxon polar_surface_area 66.76 ChemAxon refractivity 193.53 ChemAxon polarizability 74.65 ChemAxon rotatable_bond_count 10 ChemAxon acceptor_count 4 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 24282 Specdb::CMs 45122 Specdb::CMs 467147 Specdb::CMs 467148 Specdb::CMs 467149 Specdb::CMs 467150 Specdb::CMs 467151 Specdb::CMs 792113 Specdb::MsMs 77124 Specdb::MsMs 77125 Specdb::MsMs 77126 Specdb::MsMs 137166 Specdb::MsMs 137167 Specdb::MsMs 137168 Specdb::MsMs 2833911 Specdb::MsMs 2833912 Specdb::MsMs 2833913 Specdb::MsMs 2871437 Specdb::MsMs 2871438 Specdb::MsMs 2871439 HMDB36913 #<Reference:0x000055ce3265c8a8> 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 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