1.0 2019-10-16 14:33:30 UTC 2025-11-19 03:06:45 UTC FDB093733 Kaempferol 3-sulfate C15H10O9S 366.3 366.004553076 [5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl]oxidanesulfonic acid kaempferol 3-O-sulfate OC1=CC=C(C=C1)C1=C(OS(O)(=O)=O)C(=O)C2=C(O)C=C(O)C=C2O1 InChI=1S/C15H10O9S/c16-8-3-1-7(2-4-8)14-15(24-25(20,21)22)13(19)12-10(18)5-9(17)6-11(12)23-14/h1-6,16-18H,(H,20,21,22) VOYLAWHADGDBIE-UHFFFAOYSA-N belongs to the class of organic compounds known as flavones. These are flavonoids with a structure based on the backbone of 2-phenylchromen-4-one (2-phenyl-1-benzopyran-4-one). Flavones Organic compounds Phenylpropanoids and polyketides Flavonoids Flavones Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 4'-hydroxyflavonoids 5-hydroxyflavonoids 7-hydroxyflavonoids Arylsulfates Benzene and substituted derivatives Chromones Heteroaromatic compounds Hydrocarbon derivatives Organic oxides Organooxygen compounds Oxacyclic compounds Pyranones and derivatives Sulfuric acid monoesters Vinylogous acids 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 4'-hydroxyflavonoid 5-hydroxyflavonoid 7-hydroxyflavonoid Aromatic heteropolycyclic compound Arylsulfate Benzenoid Benzopyran Chromone Flavone Heteroaromatic compound Hydrocarbon derivative Hydroxyflavonoid Monocyclic benzene moiety Organic oxide Organic oxygen compound Organic sulfuric acid or derivatives Organoheterocyclic compound Organooxygen compound Oxacycle Phenol Pyran Pyranone Sulfate-ester Sulfuric acid ester Sulfuric acid monoester Vinylogous acid Flavones and Flavonols logp 0.87 ALOGPS logs -2.96 ALOGPS solubility 4.00e-01 g/l ALOGPS logp 1.98 ChemAxon pka_strongest_acidic -2.4 ChemAxon pka_strongest_basic -5.5 ChemAxon iupac [5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl]oxidanesulfonic acid ChemAxon average_mass 366.3 ChemAxon mono_mass 366.004553076 ChemAxon smiles OC1=CC=C(C=C1)C1=C(OS(O)(=O)=O)C(=O)C2=C(O)C=C(O)C=C2O1 ChemAxon formula C15H10O9S ChemAxon inchi InChI=1S/C15H10O9S/c16-8-3-1-7(2-4-8)14-15(24-25(20,21)22)13(19)12-10(18)5-9(17)6-11(12)23-14/h1-6,16-18H,(H,20,21,22) ChemAxon inchikey VOYLAWHADGDBIE-UHFFFAOYSA-N ChemAxon polar_surface_area 150.59 ChemAxon refractivity 84.87 ChemAxon polarizability 32.51 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 8 ChemAxon donor_count 4 ChemAxon physiological_charge -2 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 2437108 Specdb::MsMs 2437109 Specdb::MsMs 2437110 Specdb::MsMs 2528892 Specdb::MsMs 2528893 Specdb::MsMs 2528894 Specdb::CMs 160563 FOBI:030567