1.0 2010-04-08 22:06:06 UTC 2025-11-18 22:55:19 UTC FDB004135 Kaempferol 3-O-beta-D-galactopyranoside Kaempferol 3-o-beta-d-galactopyranoside, also known as trifolin or trifolioside, is a member of the class of compounds known as flavonoid-3-o-glycosides. Flavonoid-3-o-glycosides are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C3-position. Kaempferol 3-o-beta-d-galactopyranoside is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Kaempferol 3-o-beta-d-galactopyranoside can be found in horseradish, which makes kaempferol 3-o-beta-d-galactopyranoside a potential biomarker for the consumption of this food product. C21H20O11 448.3769 448.100561482 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one trifolin 23627-87-4 OC[C@H]1O[C@@H](OC2=C(OC3=C(C(O)=CC(O)=C3)C2=O)C2=CC=C(O)C=C2)[C@H](O)[C@@H](O)[C@H]1O InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15+,17+,18-,21+/m1/s1 JPUKWEQWGBDDQB-DTGCRPNFSA-N belongs to the class of organic compounds known as pyranones and derivatives. Pyranones and derivatives are compounds containing a pyran ring which bears a ketone. Pyranones and derivatives Organic compounds Organoheterocyclic compounds Pyrans Pyranones and derivatives Aromatic heteromonocyclic compounds 1,2-diols Alkyl aryl ethers Dialkyl ethers Heteroaromatic compounds Hydrocarbon derivatives Lactones Organic oxides Oxacyclic compounds Secondary alcohols Tertiary alcohols Tetrahydrofurans Vinylogous esters 1,2-diol Alcohol Alkyl aryl ether Aromatic heteromonocyclic compound Dialkyl ether Ether Heteroaromatic compound Hydrocarbon derivative Lactone Organic oxide Organic oxygen compound Organooxygen compound Oxacycle Pyranone Secondary alcohol Tertiary alcohol Tetrahydrofuran Vinylogous ester logp 0.52 ALOGPS logs -2.45 ALOGPS solubility 1.58e+00 g/l ALOGPS logp 0.16 ChemAxon pka_strongest_acidic 6.37 ChemAxon pka_strongest_basic -3 ChemAxon iupac 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one ChemAxon average_mass 448.3769 ChemAxon mono_mass 448.100561482 ChemAxon smiles OC[C@H]1O[C@@H](OC2=C(OC3=C(C(O)=CC(O)=C3)C2=O)C2=CC=C(O)C=C2)[C@H](O)[C@@H](O)[C@H]1O ChemAxon formula C21H20O11 ChemAxon inchi InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15+,17+,18-,21+/m1/s1 ChemAxon inchikey JPUKWEQWGBDDQB-DTGCRPNFSA-N ChemAxon polar_surface_area 186.37 ChemAxon refractivity 107.29 ChemAxon polarizability 42.47 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 11 ChemAxon donor_count 7 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 131601 Specdb::CMs 139335 Specdb::MsMs 87489 Specdb::MsMs 87490 Specdb::MsMs 87491 Specdb::MsMs 150006 Specdb::MsMs 150007 Specdb::MsMs 150008 Specdb::MsMs 2815099 Specdb::MsMs 2815100 Specdb::MsMs 2815101 Specdb::MsMs 2893232 Specdb::MsMs 2893233 Specdb::MsMs 2893234 Horseradish Type 1 specific Armoracia rusticana 3704