1.0 2010-04-08 22:05:06 UTC 2025-11-18 22:32:51 UTC FDB001765 Apo-12'-capsorubinal Apo-12'-capsorubinal is a member of the class of compounds known as diterpenoids. Diterpenoids are terpene compounds formed by four isoprene units. Apo-12'-capsorubinal is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). Apo-12'-capsorubinal can be found in a number of food items such as italian sweet red pepper, green bell pepper, red bell pepper, and yellow bell pepper, which makes apo-12'-capsorubinal a potential biomarker for the consumption of these food products. C25H34O3 382.5357 382.250794954 (2E,4E,6E,8E,10E,12E)-14-[(1R,4S)-4-hydroxy-1,2,2-trimethylcyclopentyl]-2,7,11-trimethyl-14-oxotetradeca-2,4,6,8,10,12-hexaenal (2E,4E,6E,8E,10E,12E)-14-[(1R,4S)-4-hydroxy-1,2,2-trimethylcyclopentyl]-2,7,11-trimethyl-14-oxotetradeca-2,4,6,8,10,12-hexaenal 336105-82-9 O=C\C(C)=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C(=O)[C@]1(C)C[C@@H](O)CC1(C)C InChI=1S/C25H34O3/c1-19(10-7-8-11-21(3)18-26)12-9-13-20(2)14-15-23(28)25(6)17-22(27)16-24(25,4)5/h7-15,18,22,27H,16-17H2,1-6H3/b8-7+,12-9+,15-14+,19-10+,20-13+,21-11+/t22-,25-/m0/s1 MWEPRWWNHJVNMU-KNWYRSANSA-N belongs to the class of organic compounds known as diterpenoids. These are terpene compounds formed by four isoprene units. Diterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Diterpenoids Aliphatic homomonocyclic compounds Acryloyl compounds Aldehydes Cyclic alcohols and derivatives Cyclopentanols Enals Enones Hydrocarbon derivatives Ketones Organic oxides Acryloyl-group Alcohol Aldehyde Aliphatic homomonocyclic compound Alpha,beta-unsaturated aldehyde Alpha,beta-unsaturated ketone Carbonyl group Cyclic alcohol Cyclopentanol Diterpenoid Enal Enone Hydrocarbon derivative Ketone Organic oxide Organic oxygen compound Organooxygen compound Secondary alcohol logp 5.43 ALOGPS logs -5.03 ALOGPS solubility 3.55e-03 g/l ALOGPS logp 5.07 ChemAxon pka_strongest_acidic 15.21 ChemAxon pka_strongest_basic -2.7 ChemAxon iupac (2E,4E,6E,8E,10E,12E)-14-[(1R,4S)-4-hydroxy-1,2,2-trimethylcyclopentyl]-2,7,11-trimethyl-14-oxotetradeca-2,4,6,8,10,12-hexaenal ChemAxon average_mass 382.5357 ChemAxon mono_mass 382.250794954 ChemAxon smiles O=C\C(C)=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C(=O)[C@]1(C)C[C@@H](O)CC1(C)C ChemAxon formula C25H34O3 ChemAxon inchi InChI=1S/C25H34O3/c1-19(10-7-8-11-21(3)18-26)12-9-13-20(2)14-15-23(28)25(6)17-22(27)16-24(25,4)5/h7-15,18,22,27H,16-17H2,1-6H3/b8-7+,12-9+,15-14+,19-10+,20-13+,21-11+/t22-,25-/m0/s1 ChemAxon inchikey MWEPRWWNHJVNMU-KNWYRSANSA-N ChemAxon polar_surface_area 54.37 ChemAxon refractivity 123.54 ChemAxon polarizability 46.26 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 89895 Specdb::MsMs 89896 Specdb::MsMs 89897 Specdb::MsMs 152931 Specdb::MsMs 152932 Specdb::MsMs 152933 Specdb::MsMs 3598390 Specdb::MsMs 3598391 Specdb::MsMs 3598392 Specdb::MsMs 3598393 Specdb::MsMs 3598394 Specdb::MsMs 3598395 Green bell pepper Type 1 specific Capsicum annuum 4072 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