1.0 2011-03-17 23:25:22 UTC 2025-11-19 02:38:48 UTC FDB021640 Quercetin 3-alpha-D-galactoside 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4h-chromen-4-one 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. 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4h-chromen-4-one is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4h-chromen-4-one can be found in a number of food items such as red raspberry, german camomile, caraway, and bilberry, which makes 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4h-chromen-4-one a potential biomarker for the consumption of these food products. 3,3',4',5,7-Pentahydroxyflavone 3-O-a-D-galactopyranoside Isohyperoside? Quercetin 3-alpha-D-galactoside Quercetin 3-O-a-D-galactopyranoside C21H20O12 464.3763 464.095476104 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one isoquercitin 65549-68-0 OCC1OC(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC(O)=C(O)C=C2)C(O)C(O)C1O InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2 OVSQVDMCBVZWGM-UHFFFAOYSA-N belongs to the class of organic compounds known as flavonoid-3-o-glycosides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C3-position. Flavonoid-3-O-glycosides Organic compounds Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 3'-hydroxyflavonoids 4'-hydroxyflavonoids 5-hydroxyflavonoids 7-hydroxyflavonoids Acetals Benzene and substituted derivatives Catechols Chromones Flavones Heteroaromatic compounds Hexoses Hydrocarbon derivatives O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Polyols Primary alcohols Pyranones and derivatives Secondary alcohols Vinylogous acids 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 3'-hydroxyflavonoid 4'-hydroxyflavonoid 5-hydroxyflavonoid 7-hydroxyflavonoid Acetal Alcohol Aromatic heteropolycyclic compound Benzenoid Benzopyran Catechol Chromone Flavone Flavonoid-3-o-glycoside Glycosyl compound Heteroaromatic compound Hexose monosaccharide Hydrocarbon derivative Hydroxyflavonoid Monocyclic benzene moiety Monosaccharide O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Phenol Polyol Primary alcohol Pyran Pyranone Secondary alcohol Vinylogous acid logp 0.47 ALOGPS logs -2.38 ALOGPS solubility 1.95e+00 g/l ALOGPS melting_point Mp 242-245? logp -0.14 ChemAxon pka_strongest_acidic 6.37 ChemAxon pka_strongest_basic -3 ChemAxon iupac 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one ChemAxon average_mass 464.3763 ChemAxon mono_mass 464.095476104 ChemAxon smiles OCC1OC(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC(O)=C(O)C=C2)C(O)C(O)C1O ChemAxon formula C21H20O12 ChemAxon inchi InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2 ChemAxon inchikey OVSQVDMCBVZWGM-UHFFFAOYSA-N ChemAxon polar_surface_area 206.6 ChemAxon refractivity 109.28 ChemAxon polarizability 43.39 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 12 ChemAxon donor_count 8 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 51818 Specdb::CMs 71738 Specdb::CMs 117292 Specdb::CMs 126574 Specdb::CMs 126863 Specdb::CMs 152596 Specdb::NmrOneD 201867 Specdb::NmrOneD 201868 Specdb::NmrOneD 201869 Specdb::NmrOneD 201870 Specdb::NmrOneD 201871 Specdb::NmrOneD 201872 Specdb::NmrOneD 201873 Specdb::NmrOneD 201874 Specdb::NmrOneD 201875 Specdb::NmrOneD 201876 Specdb::NmrOneD 201877 Specdb::NmrOneD 201878 Specdb::NmrOneD 201879 Specdb::NmrOneD 201880 Specdb::NmrOneD 201881 Specdb::NmrOneD 201882 Specdb::NmrOneD 201883 Specdb::NmrOneD 201884 Specdb::NmrOneD 201885 Specdb::NmrOneD 201886 Specdb::MsMs 1282534 Specdb::MsMs 1282535 Specdb::MsMs 1282536 Specdb::MsMs 1397386 Specdb::MsMs 1397387 Specdb::MsMs 1397388 Specdb::MsMs 2226350 Specdb::MsMs 2227133 Specdb::MsMs 2227339 Specdb::MsMs 2227360 Specdb::MsMs 2227543 Specdb::MsMs 2228342 Specdb::MsMs 2228715 Specdb::MsMs 2229588 Specdb::MsMs 2229704 Specdb::MsMs 2229801 Specdb::MsMs 2229920 Specdb::MsMs 2230746 Specdb::MsMs 2231088 Specdb::MsMs 2231154 Specdb::MsMs 2233094 Specdb::MsMs 2233580 Specdb::MsMs 2235376 Specdb::MsMs 2235926 Specdb::MsMs 2236339 Bilberry Type 1 specific Vaccinium myrtillus 180763 Black tea Type 1 Caraway Type 1 specific Carum carvi 48032 German camomile Type 1 specific Matricaria recutita 127986 Green tea Type 1 Herbal tea Type 1 Peach Type 1 specific Prunus persica 3760 Pear Type 1 specific Pyrus communis 23211 Red raspberry Type 1 specific Rubus idaeus 32247 Red tea Type 1 Tea Type 1 specific Camellia sinensis 4442