1.0 2019-09-16 21:23:41 UTC 2019-11-26 03:24:13 UTC FDB093567 Dulcisflavan C15H14O8 322.269 322.068867411 (2R,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,6,7,8-pentol (2R,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,6,7,8-pentol O[C@@H]1CC2=C(O)C(O)=C(O)C(O)=C2O[C@@H]1C1=CC(O)=C(O)C=C1 InChI=1S/C15H14O8/c16-7-2-1-5(3-8(7)17)14-9(18)4-6-10(19)11(20)12(21)13(22)15(6)23-14/h1-3,9,14,16-22H,4H2/t9-,14-/m1/s1 PONGJRZSHJPTOF-YMTOWFKASA-N belongs to the class of organic compounds known as catechins. Catechins are compounds containing a catechin moiety, which is a 3,4-dihydro-2-chromene-3,5.7-tiol. Catechins 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 5-hydroxyflavonoids 6-hydroxyflavonoids 7-hydroxyflavonoids 8-hydroxyflavonoids Alkyl aryl ethers Benzene and substituted derivatives Catechols Hydrocarbon derivatives Oxacyclic compounds Polyols Secondary alcohols 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 3'-hydroxyflavonoid 3-hydroxyflavonoid 4'-hydroxyflavonoid 5-hydroxyflavonoid 6-hydroxyflavonoid 7-hydroxyflavonoid 8-hydroxyflavonoid Alcohol Alkyl aryl ether Aromatic heteropolycyclic compound Benzenoid Benzopyran Catechin Catechol Chromane Ether Hydrocarbon derivative Hydroxyflavonoid Monocyclic benzene moiety Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Phenol Polyol Secondary alcohol logp 0.71 ALOGPS logs -2.44 ALOGPS solubility 1.17e+00 g/l ALOGPS logp 1.19 ChemAxon pka_strongest_acidic 8.9 ChemAxon pka_strongest_basic -3.3 ChemAxon iupac (2R,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,6,7,8-pentol ChemAxon average_mass 322.269 ChemAxon mono_mass 322.068867411 ChemAxon smiles O[C@@H]1CC2=C(O)C(O)=C(O)C(O)=C2O[C@@H]1C1=CC(O)=C(O)C=C1 ChemAxon formula C15H14O8 ChemAxon inchi InChI=1S/C15H14O8/c16-7-2-1-5(3-8(7)17)14-9(18)4-6-10(19)11(20)12(21)13(22)15(6)23-14/h1-3,9,14,16-22H,4H2/t9-,14-/m1/s1 ChemAxon inchikey PONGJRZSHJPTOF-YMTOWFKASA-N ChemAxon polar_surface_area 150.84 ChemAxon refractivity 77.96 ChemAxon polarizability 30.23 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 8 ChemAxon donor_count 7 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 1233430 Specdb::MsMs 1233431 Specdb::MsMs 1233432 Specdb::MsMs 1348936 Specdb::MsMs 1348937 Specdb::MsMs 1348938 Specdb::MsMs 3609442 Specdb::MsMs 3609443 Specdb::MsMs 3609444 Specdb::MsMs 3610423 Specdb::MsMs 3610424 Specdb::MsMs 3610425 Mundu Type 1 Garcinia dulcis