1.0 2010-04-08 22:14:02 UTC 2025-11-19 02:15:47 UTC FDB018935 Ethyl brevifolincarboxylate Ethyl brevifolincarboxylate, also known as ebfc, belongs to isocoumarins and derivatives class of compounds. Those are polycyclic compounds containing an isochromane which bears a ketone at the carbon C1. Ethyl brevifolincarboxylate is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Ethyl brevifolincarboxylate can be found in pomegranate, which makes ethyl brevifolincarboxylate a potential biomarker for the consumption of this food product. EBFC Ethyl brevifolincarboxylate C15H12O8 320.251 320.05321736 ethyl 7,8,9-trihydroxy-3,5-dioxo-1H,2H,3H,5H-cyclopenta[c]isochromene-1-carboxylate ethyl 7,8,9-trihydroxy-3,5-dioxo-1H,2H-cyclopenta[c]isochromene-1-carboxylate 107646-82-2 CCOC(=O)C1CC(=O)C2=C1C1=C(O)C(O)=C(O)C=C1C(=O)O2 InChI=1S/C15H12O8/c1-2-22-14(20)6-4-8(17)13-10(6)9-5(15(21)23-13)3-7(16)11(18)12(9)19/h3,6,16,18-19H,2,4H2,1H3 JSEPSLOCPQODTM-UHFFFAOYSA-N belongs to the class of organic compounds known as isocoumarins and derivatives. These are polycyclic compounds containing an isochromane which bears a ketone at the carbon C1. Isocoumarins and derivatives Organic compounds Phenylpropanoids and polyketides Isocoumarins and derivatives Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 2-benzopyrans Aryl alkyl ketones Carboxylic acid esters Heteroaromatic compounds Hydrocarbon derivatives Lactones Monocarboxylic acids and derivatives Organic oxides Oxacyclic compounds Polyols Pyranones and derivatives 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 2-benzopyran Aromatic heteropolycyclic compound Aryl alkyl ketone Aryl ketone Benzenoid Benzopyran Carbonyl group Carboxylic acid derivative Carboxylic acid ester Heteroaromatic compound Hydrocarbon derivative Isocoumarin Ketone Lactone Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Polyol Pyran Pyranone logp 1.91 ALOGPS logs -2.29 ALOGPS solubility 1.64e+00 g/l ALOGPS melting_point Mp 250° logp 0.92 ChemAxon pka_strongest_acidic 6.65 ChemAxon pka_strongest_basic -6.7 ChemAxon iupac ethyl 7,8,9-trihydroxy-3,5-dioxo-1H,2H,3H,5H-cyclopenta[c]isochromene-1-carboxylate ChemAxon average_mass 320.251 ChemAxon mono_mass 320.05321736 ChemAxon smiles CCOC(=O)C1CC(=O)C2=C1C1=C(O)C(O)=C(O)C=C1C(=O)O2 ChemAxon formula C15H12O8 ChemAxon inchi InChI=1S/C15H12O8/c1-2-22-14(20)6-4-8(17)13-10(6)9-5(15(21)23-13)3-7(16)11(18)12(9)19/h3,6,16,18-19H,2,4H2,1H3 ChemAxon inchikey JSEPSLOCPQODTM-UHFFFAOYSA-N ChemAxon polar_surface_area 130.36 ChemAxon refractivity 76.55 ChemAxon polarizability 29.6 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 6 ChemAxon donor_count 3 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 61308 Specdb::MsMs 61309 Specdb::MsMs 61310 Specdb::MsMs 117819 Specdb::MsMs 117820 Specdb::MsMs 117821 Specdb::MsMs 3606419 Specdb::MsMs 3606420 Specdb::MsMs 3606421 Specdb::MsMs 3606422 Specdb::MsMs 3606423 Specdb::MsMs 3606424 Pomegranate Type 1 specific Punica granatum 22663 Aldose reductase inhibitor 40 An EC 1.1.1.* (oxidoreductase acting on donor CH-OH group, NAD(+) or NADP(+) acceptor) inhibitor that interferes with the action of aldehyde reductase (EC 1.1.1.21).