1.0 2010-04-08 22:06:20 UTC 2019-11-26 03:00:08 UTC FDB004639 5-Hydroxycapsanthin-5,6-epoxide 5-hydroxycapsanthin-5,6-epoxide is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 5-hydroxycapsanthin-5,6-epoxide can be found in a number of food items such as red bell pepper, orange bell pepper, pepper (c. annuum), and green bell pepper, which makes 5-hydroxycapsanthin-5,6-epoxide a potential biomarker for the consumption of these food products. C39H54O5 602.8431 602.397124838 (2E,4E,6E,8E,10E,12E,14E,16E,18E)-19-[(4S)-4,6-dihydroxy-2,2-dimethyl-7-oxabicyclo[4.1.0]heptan-1-yl]-1-[(1R,4S)-4-hydroxy-1,2,2-trimethylcyclopentyl]-4,8,13,17-tetramethylnonadeca-2,4,6,8,10,12,14,16,18-nonaen-1-one (2E,4E,6E,8E,10E,12E,14E,16E,18E)-19-[(4S)-4,6-dihydroxy-2,2-dimethyl-7-oxabicyclo[4.1.0]heptan-1-yl]-1-[(1R,4S)-4-hydroxy-1,2,2-trimethylcyclopentyl]-4,8,13,17-tetramethylnonadeca-2,4,6,8,10,12,14,16,18-nonaen-1-one O[C@H]1CC(C)(C)[C@@](C)(C1)C(=O)\C=C\C(\C)=C\C=C\C(\C)=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C12OC1(O)C[C@@H](O)CC2(C)C InChI=1S/C39H54O5/c1-28(16-12-18-30(3)20-21-34(42)37(9)26-32(40)24-35(37,5)6)14-10-11-15-29(2)17-13-19-31(4)22-23-38-36(7,8)25-33(41)27-39(38,43)44-38/h10-23,32-33,40-41,43H,24-27H2,1-9H3/b11-10+,16-12+,17-13+,21-20+,23-22+,28-14+,29-15+,30-18+,31-19+/t32-,33-,37-,38?,39?/m0/s1 MTJZYEYMGZZYQD-OPMFDOCVSA-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 Cyclic alcohols and derivatives Cyclopentanols Enones Epoxides Hydrocarbon derivatives Ketones Organic oxides Oxacyclic compounds Oxepanes Acryloyl-group Alcohol Aliphatic heteropolycyclic compound Alpha,beta-unsaturated ketone Carbonyl group Cyclic alcohol Cyclopentanol Enone Hydrocarbon derivative Ketone Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxepane Oxirane Secondary alcohol Triterpenoid logp 6.96 ALOGPS logs -5.76 ALOGPS solubility 1.05e-03 g/l ALOGPS logp 7.7 ChemAxon pka_strongest_acidic 11.06 ChemAxon pka_strongest_basic -2.7 ChemAxon iupac (2E,4E,6E,8E,10E,12E,14E,16E,18E)-19-[(4S)-4,6-dihydroxy-2,2-dimethyl-7-oxabicyclo[4.1.0]heptan-1-yl]-1-[(1R,4S)-4-hydroxy-1,2,2-trimethylcyclopentyl]-4,8,13,17-tetramethylnonadeca-2,4,6,8,10,12,14,16,18-nonaen-1-one ChemAxon average_mass 602.8431 ChemAxon mono_mass 602.397124838 ChemAxon smiles O[C@H]1CC(C)(C)[C@@](C)(C1)C(=O)\C=C\C(\C)=C\C=C\C(\C)=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C12OC1(O)C[C@@H](O)CC2(C)C ChemAxon formula C39H54O5 ChemAxon inchi InChI=1S/C39H54O5/c1-28(16-12-18-30(3)20-21-34(42)37(9)26-32(40)24-35(37,5)6)14-10-11-15-29(2)17-13-19-31(4)22-23-38-36(7,8)25-33(41)27-39(38,43)44-38/h10-23,32-33,40-41,43H,24-27H2,1-9H3/b11-10+,16-12+,17-13+,21-20+,23-22+,28-14+,29-15+,30-18+,31-19+/t32-,33-,37-,38?,39?/m0/s1 ChemAxon inchikey MTJZYEYMGZZYQD-OPMFDOCVSA-N ChemAxon polar_surface_area 90.29 ChemAxon refractivity 190.07 ChemAxon polarizability 73.58 ChemAxon rotatable_bond_count 11 ChemAxon acceptor_count 5 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 66753 Specdb::MsMs 66754 Specdb::MsMs 66755 Specdb::MsMs 124383 Specdb::MsMs 124384 Specdb::MsMs 124385 Specdb::MsMs 3600791 Specdb::MsMs 3600792 Specdb::MsMs 3600793 Specdb::MsMs 3600794 Specdb::MsMs 3600795 Specdb::MsMs 3600796 Green bell 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