1.0 2010-04-08 22:12:31 UTC 2025-11-19 01:48:30 UTC FDB016584 Aromadendrin 3-rhamnoside Aromadendrin 3-rhamnoside 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. Aromadendrin 3-rhamnoside is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Aromadendrin 3-rhamnoside can be found in common grape, which makes aromadendrin 3-rhamnoside a potential biomarker for the consumption of this food product. Aromadendrin 3-rhamnoside Dihydrokaempferol 3-rhamnoside Engeletin Engelitin C21H22O10 434.3934 434.121296924 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-3,4-dihydro-2H-1-benzopyran-4-one engeletin 572-31-6 CC1OC(OC2C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=C(O)C=C2)C(O)C(O)C1O InChI=1S/C21H22O10/c1-8-15(25)17(27)18(28)21(29-8)31-20-16(26)14-12(24)6-11(23)7-13(14)30-19(20)9-2-4-10(22)5-3-9/h2-8,15,17-25,27-28H,1H3 VQUPQWGKORWZII-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 4'-hydroxyflavonoids 5-hydroxyflavonoids 7-hydroxyflavonoids Acetals Alkyl aryl ethers Aryl alkyl ketones Benzene and substituted derivatives Chromones Flavanonols Hexoses Hydrocarbon derivatives O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Polyols Secondary alcohols Vinylogous acids 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 4'-hydroxyflavonoid 5-hydroxyflavonoid 7-hydroxyflavonoid Acetal Alcohol Alkyl aryl ether Aromatic heteropolycyclic compound Aryl alkyl ketone Aryl ketone Benzenoid Benzopyran Chromane Chromone Ether Flavan Flavanone Flavanonol Flavonoid-3-o-glycoside Glycosyl compound Hexose monosaccharide Hydrocarbon derivative Hydroxyflavonoid Ketone Monocyclic benzene moiety Monosaccharide O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Phenol Polyol Secondary alcohol Vinylogous acid logp 0.77 ALOGPS logs -2.17 ALOGPS solubility 2.97e+00 g/l ALOGPS melting_point Mp 176-177° logp 1.4 ChemAxon pka_strongest_acidic 7.8 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-3,4-dihydro-2H-1-benzopyran-4-one ChemAxon average_mass 434.3934 ChemAxon mono_mass 434.121296924 ChemAxon smiles CC1OC(OC2C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=C(O)C=C2)C(O)C(O)C1O ChemAxon formula C21H22O10 ChemAxon inchi InChI=1S/C21H22O10/c1-8-15(25)17(27)18(28)21(29-8)31-20-16(26)14-12(24)6-11(23)7-13(14)30-19(20)9-2-4-10(22)5-3-9/h2-8,15,17-25,27-28H,1H3 ChemAxon inchikey VQUPQWGKORWZII-UHFFFAOYSA-N ChemAxon polar_surface_area 166.14 ChemAxon refractivity 103.5 ChemAxon polarizability 41.79 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 10 ChemAxon donor_count 6 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 103440 Specdb::MsMs 103441 Specdb::MsMs 103442 Specdb::MsMs 169488 Specdb::MsMs 169489 Specdb::MsMs 169490 Specdb::MsMs 3606010 Specdb::MsMs 3606011 Specdb::MsMs 3606012 Specdb::MsMs 3606013 Specdb::MsMs 3606014 Specdb::MsMs 3606015 Common grape Type 1 specific Vitis vinifera 29760