1.0 2010-04-08 22:05:22 UTC 2025-11-18 22:37:18 UTC FDB002415 3,3',4',7-Tetrahydroxyflavan Quebrachocatechin, of undetd. stereochem., isolated from Quebracho in 1934. 2-(3,4-Dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,7-diol, 9CI 3',4',7-Trihydroxy-3-flavanol C15H14O5 274.2687 274.084123558 2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,7-diol 3,7,3',4'-tetrahydroxyflavan OC1CC2=C(OC1C1=CC=C(O)C(O)=C1)C=C(O)C=C2 InChI=1S/C15H14O5/c16-10-3-1-8-5-13(19)15(20-14(8)7-10)9-2-4-11(17)12(18)6-9/h1-4,6-7,13,15-19H,5H2 VFZYLYJWCROVLO-UHFFFAOYSA-N belongs to the class of organic compounds known as flavan-3-ols. These are flavans that bear and hydroxyl group at position 3 (B ring), but not at position 4. Flavan-3-ols Organic compounds Phenylpropanoids and polyketides Flavonoids Flavans Aromatic heteropolycyclic compounds 1-benzopyrans 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 3'-hydroxyflavonoids 3-hydroxyflavonoids 4'-hydroxyflavonoids 7-hydroxyflavonoids Alkyl aryl ethers Benzene and substituted derivatives Catechols Hydrocarbon derivatives Oxacyclic compounds Secondary alcohols 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 3'-hydroxyflavonoid 3-hydroxyflavonoid 4'-hydroxyflavonoid 7-hydroxyflavonoid Alcohol Alkyl aryl ether Aromatic heteropolycyclic compound Benzenoid Benzopyran Catechol Chromane Ether Flavan-3-ol Hydrocarbon derivative Hydroxyflavonoid Monocyclic benzene moiety Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Phenol Secondary alcohol logp 1.33 ALOGPS logs -2.83 ALOGPS solubility 4.10e-01 g/l ALOGPS logp 2.1 ChemAxon pka_strongest_acidic 9.09 ChemAxon pka_strongest_basic -3.3 ChemAxon iupac 2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,7-diol ChemAxon average_mass 274.2687 ChemAxon mono_mass 274.084123558 ChemAxon smiles OC1CC2=C(OC1C1=CC=C(O)C(O)=C1)C=C(O)C=C2 ChemAxon formula C15H14O5 ChemAxon inchi InChI=1S/C15H14O5/c16-10-3-1-8-5-13(19)15(20-14(8)7-10)9-2-4-11(17)12(18)6-9/h1-4,6-7,13,15-19H,5H2 ChemAxon inchikey VFZYLYJWCROVLO-UHFFFAOYSA-N ChemAxon polar_surface_area 90.15 ChemAxon refractivity 72.02 ChemAxon polarizability 27.54 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 5 ChemAxon donor_count 4 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 12084 Specdb::CMs 41981 Specdb::CMs 154359 Specdb::MsMs 6851 Specdb::MsMs 6852 Specdb::MsMs 6853 Specdb::MsMs 8162 Specdb::MsMs 8163 Specdb::MsMs 8164 Specdb::MsMs 13523 Specdb::MsMs 13524 Specdb::MsMs 13525 Specdb::MsMs 14834 Specdb::MsMs 14835 Specdb::MsMs 14836 Specdb::MsMs 2463705 Specdb::MsMs 2463706 Specdb::MsMs 2463707 Specdb::MsMs 2501717 Specdb::MsMs 2501718 Specdb::MsMs 2501719 HMDB0030541