1.0 2010-04-08 22:05:04 UTC 2019-11-26 02:56:38 UTC FDB001678 Kaempferol 3-alpha-D-arabinopyranoside Kaempferol 3-alpha-d-arabinopyranoside 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-alpha-d-arabinopyranoside is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Kaempferol 3-alpha-d-arabinopyranoside can be found in avocado, which makes kaempferol 3-alpha-d-arabinopyranoside a potential biomarker for the consumption of this food product. C20H18O10 418.354 418.08999678 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-{[(2S,3S,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}-4H-chromen-4-one 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-{[(2S,3S,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}chromen-4-one 201533-09-7 [H][C@@]1(O)CO[C@@]([H])(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=C(O)C=C2)[C@@]([H])(O)[C@@]1([H])O InChI=1S/C20H18O10/c21-9-3-1-8(2-4-9)18-19(30-20-17(27)15(25)12(24)7-28-20)16(26)14-11(23)5-10(22)6-13(14)29-18/h1-6,12,15,17,20-25,27H,7H2/t12-,15+,17+,20+/m1/s1 RNVUDWOQYYWXBJ-ZMQFRBSTSA-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 4'-hydroxyflavonoids 5-hydroxyflavonoids 7-hydroxyflavonoids Acetals Benzene and substituted derivatives Chromones Flavones Heteroaromatic compounds Hydrocarbon derivatives Monosaccharides O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Polyols Pyranones and derivatives Secondary alcohols Vinylogous acids 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 4'-hydroxyflavonoid 5-hydroxyflavonoid 7-hydroxyflavonoid Acetal Alcohol Aromatic heteropolycyclic compound Benzenoid Benzopyran Chromone Flavone Flavonoid-3-o-glycoside Glycosyl compound Heteroaromatic compound Hydrocarbon derivative Hydroxyflavonoid Monocyclic benzene moiety Monosaccharide O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Phenol Polyol Pyran Pyranone Secondary alcohol Vinylogous acid logp 0.98 ALOGPS logs -2.55 ALOGPS solubility 1.18e+00 g/l ALOGPS logp 0.79 ChemAxon pka_strongest_acidic 6.37 ChemAxon pka_strongest_basic -3.5 ChemAxon iupac 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-{[(2S,3S,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}-4H-chromen-4-one ChemAxon average_mass 418.354 ChemAxon mono_mass 418.08999678 ChemAxon smiles [H][C@@]1(O)CO[C@@]([H])(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=C(O)C=C2)[C@@]([H])(O)[C@@]1([H])O ChemAxon formula C20H18O10 ChemAxon inchi InChI=1S/C20H18O10/c21-9-3-1-8(2-4-9)18-19(30-20-17(27)15(25)12(24)7-28-20)16(26)14-11(23)5-10(22)6-13(14)29-18/h1-6,12,15,17,20-25,27H,7H2/t12-,15+,17+,20+/m1/s1 ChemAxon inchikey RNVUDWOQYYWXBJ-ZMQFRBSTSA-N ChemAxon polar_surface_area 166.14 ChemAxon refractivity 101.33 ChemAxon polarizability 39.65 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 10 ChemAxon donor_count 6 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 87615 Specdb::MsMs 87616 Specdb::MsMs 87617 Specdb::MsMs 150144 Specdb::MsMs 150145 Specdb::MsMs 150146 Specdb::MsMs 3598058 Specdb::MsMs 3598059 Specdb::MsMs 3598060 Specdb::MsMs 3598061 Specdb::MsMs 3598062 Specdb::MsMs 3598063 Avocado Type 1 specific Persea americana 3435