1.0 2010-04-08 22:09:33 UTC 2025-11-18 23:25:58 UTC FDB011282 Capsanthin 3,6-epoxide Constituent of red paprika (Capsicum annuum). Capsanthin 3,6-epoxide is found in many foods, some of which are orange bell pepper, green bell pepper, herbs and spices, and pepper (c. frutescens). Capsanthin 3,6-epoxide C40H56O4 600.8702 600.41786028 (2E,4E,6E,8Z,10E,12E,14E,16Z,18E)-1-(4-hydroxy-1,2,2-trimethylcyclopentyl)-19-{2-hydroxy-2,6,6-trimethyl-7-oxabicyclo[2.2.1]heptan-1-yl}-4,8,13,17-tetramethylnonadeca-2,4,6,8,10,12,14,16,18-nonaen-1-one (2E,4E,6E,8Z,10E,12E,14E,16Z,18E)-1-(4-hydroxy-1,2,2-trimethylcyclopentyl)-19-{2-hydroxy-2,6,6-trimethyl-7-oxabicyclo[2.2.1]heptan-1-yl}-4,8,13,17-tetramethylnonadeca-2,4,6,8,10,12,14,16,18-nonaen-1-one C\C(\C=C\C=C(/C)\C=C\C(=O)C1(C)CC(O)CC1(C)C)=C\C=C\C=C(/C)\C=C\C=C(\C)/C=C/C12OC(CC1(C)C)CC2(C)O InChI=1S/C40H56O4/c1-29(17-13-19-31(3)21-22-35(42)38(9)26-33(41)25-36(38,5)6)15-11-12-16-30(2)18-14-20-32(4)23-24-40-37(7,8)27-34(44-40)28-39(40,10)43/h11-24,33-34,41,43H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,22-21+,24-23+,29-15-,30-16+,31-19+,32-20- TWTPPPZIWNGQCQ-SPHDKFQHSA-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 Acryloyl compounds Cyclic alcohols and derivatives Cyclopentanols Dialkyl ethers Enones Hydrocarbon derivatives Ketones Monosaccharides Organic oxides Oxacyclic compounds Tertiary alcohols Tetrahydrofurans Acryloyl-group Alcohol Aliphatic heteropolycyclic compound Alpha,beta-unsaturated ketone Carbonyl group Cyclic alcohol Cyclopentanol Dialkyl ether Enone Ether Hydrocarbon derivative Ketone Monosaccharide Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Secondary alcohol Tertiary alcohol Tetrahydrofuran Xanthophyll logp 7.77 ALOGPS logs -6.04 ALOGPS solubility 5.46e-04 g/l ALOGPS melting_point Mp 169-170° logp 7.96 ChemAxon pka_strongest_acidic 13.69 ChemAxon pka_strongest_basic -2.7 ChemAxon iupac (2E,4E,6E,8Z,10E,12E,14E,16Z,18E)-1-(4-hydroxy-1,2,2-trimethylcyclopentyl)-19-{2-hydroxy-2,6,6-trimethyl-7-oxabicyclo[2.2.1]heptan-1-yl}-4,8,13,17-tetramethylnonadeca-2,4,6,8,10,12,14,16,18-nonaen-1-one ChemAxon average_mass 600.8702 ChemAxon mono_mass 600.41786028 ChemAxon smiles C\C(\C=C\C=C(/C)\C=C\C(=O)C1(C)CC(O)CC1(C)C)=C\C=C\C=C(/C)\C=C\C=C(\C)/C=C/C12OC(CC1(C)C)CC2(C)O ChemAxon formula C40H56O4 ChemAxon inchi InChI=1S/C40H56O4/c1-29(17-13-19-31(3)21-22-35(42)38(9)26-33(41)25-36(38,5)6)15-11-12-16-30(2)18-14-20-32(4)23-24-40-37(7,8)27-34(44-40)28-39(40,10)43/h11-24,33-34,41,43H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,22-21+,24-23+,29-15-,30-16+,31-19+,32-20- ChemAxon inchikey TWTPPPZIWNGQCQ-SPHDKFQHSA-N ChemAxon polar_surface_area 66.76 ChemAxon refractivity 193.65 ChemAxon polarizability 74.22 ChemAxon rotatable_bond_count 11 ChemAxon acceptor_count 4 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 11193 Specdb::CMs 43178 Specdb::CMs 467091 Specdb::CMs 467092 Specdb::CMs 467093 Specdb::CMs 467094 Specdb::CMs 467095 Specdb::CMs 792107 Specdb::MsMs 87831 Specdb::MsMs 87832 Specdb::MsMs 87833 Specdb::MsMs 150423 Specdb::MsMs 150424 Specdb::MsMs 150425 Specdb::MsMs 2328312 Specdb::MsMs 2328313 Specdb::MsMs 2328314 Specdb::MsMs 2633549 Specdb::MsMs 2633550 Specdb::MsMs 2633551 HMDB0033260 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 Pepper (C. frutescens) Type 1 specific Capsicum annuum var. annuum 40321 Red bell pepper Type 1 specific Capsicum annuum 4072 Yellow bell pepper Type 1 specific Capsicum annuum 4072