1.0 2026-09-22 06:34:28 UTC 2026-09-22 06:34:28 UTC FDB117839 Pinobanksin 3-acetate [(2R,3R)-5,7-dihydroxy-4-oxo-2-phenyl-2,3-dihydrochromen-3-yl] acetate [(2R,3R)-5,7-dihydroxy-4-oxo-2-phenyl-chroman-3-yl] acetate C17H14O6 314.293 314.079038171 (2R,3R)-5,7-dihydroxy-4-oxo-2-phenyl-3,4-dihydro-2H-1-benzopyran-3-yl acetate pinobanksin-3-acetate CC(=O)O[C@@H]1[C@H](OC2=CC(O)=CC(O)=C2C1=O)C1=CC=CC=C1 InChI=1S/C17H14O6/c1-9(18)22-17-15(21)14-12(20)7-11(19)8-13(14)23-16(17)10-5-3-2-4-6-10/h2-8,16-17,19-20H,1H3/t16-,17+/m1/s1 BJYHZSNSMVEQEH-SJORKVTESA-N belongs to the class of organic compounds known as flavanonols. Flavanonols are compounds containing a flavan-3-one moiety, with a structure characterized by a 2-phenyl-3,4-dihydro-2H-1-benzopyran bearing a hydroxyl group and a ketone at the carbon C2 and C3, respectively. Flavanonols Organic compounds Phenylpropanoids and polyketides Flavonoids Flavans Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 5-hydroxyflavonoids 7-hydroxyflavonoids Alkyl aryl ethers Alpha-acyloxy ketones Aryl alkyl ketones Benzene and substituted derivatives Carboxylic acid esters Chromones Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Oxacyclic compounds Vinylogous acids 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 5-hydroxyflavonoid 7-hydroxyflavonoid Alkyl aryl ether Alpha-acyloxy ketone Aromatic heteropolycyclic compound Aryl alkyl ketone Aryl ketone Benzenoid Benzopyran Carbonyl group Carboxylic acid derivative Carboxylic acid ester Chromane Chromone Ether Flavanonol Hydrocarbon derivative Hydroxyflavonoid Ketone Monocarboxylic acid or derivatives Monocyclic benzene moiety Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Vinylogous acid Dihyroflavonols dihydroflavonols logp 2.86 ALOGPS logs -3.11 ALOGPS solubility 2.45e-01 g/l ALOGPS logp 2.86 ChemAxon pka_strongest_acidic 7.75 ChemAxon pka_strongest_basic -5 ChemAxon iupac (2R,3R)-5,7-dihydroxy-4-oxo-2-phenyl-3,4-dihydro-2H-1-benzopyran-3-yl acetate ChemAxon average_mass 314.293 ChemAxon mono_mass 314.079038171 ChemAxon smiles CC(=O)O[C@@H]1[C@H](OC2=CC(O)=CC(O)=C2C1=O)C1=CC=CC=C1 ChemAxon formula C17H14O6 ChemAxon inchi InChI=1S/C17H14O6/c1-9(18)22-17-15(21)14-12(20)7-11(19)8-13(14)23-16(17)10-5-3-2-4-6-10/h2-8,16-17,19-20H,1H3/t16-,17+/m1/s1 ChemAxon inchikey BJYHZSNSMVEQEH-SJORKVTESA-N ChemAxon polar_surface_area 93.06 ChemAxon refractivity 79.8 ChemAxon polarizability 31.04 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 5 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon