1.0 2010-04-08 22:12:57 UTC 2025-11-19 01:52:41 UTC FDB017217 Malvidin 3-(6-coumaroylglucoside) Pigment of skins of black grapes, found in red wine Malvidin 3-(6-coumaroylglucoside) C32H31O14 639.5801 639.1713807 5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-{[3,4,5-trihydroxy-6-({[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}methyl)oxan-2-yl]oxy}-1lambda4-chromen-1-ylium 5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-{[3,4,5-trihydroxy-6-({[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}methyl)oxan-2-yl]oxy}-1lambda4-chromen-1-ylium 34693-53-3 COC1=CC(=CC(OC)=C1O)C1=[O+]C2=C(C=C1OC1OC(COC(=O)\C=C\C3=CC=C(O)C=C3)C(O)C(O)C1O)C(O)=CC(O)=C2 InChI=1S/C32H30O14/c1-41-22-9-16(10-23(42-2)27(22)37)31-24(13-19-20(35)11-18(34)12-21(19)44-31)45-32-30(40)29(39)28(38)25(46-32)14-43-26(36)8-5-15-3-6-17(33)7-4-15/h3-13,25,28-30,32,38-40H,14H2,1-2H3,(H3-,33,34,35,36,37)/p+1 HXQOVGDXCHFLOP-UHFFFAOYSA-O 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-benzopyrans 1-hydroxy-2-unsubstituted benzenoids 3'-O-methylated flavonoids 4'-hydroxyflavonoids 7-hydroxyflavonoids Acetals Alkyl aryl ethers Anisoles Carbonyl compounds Carboximidic acids Cinnamic acids Coumaric acids Dimethoxybenzenes Heteroaromatic compounds Hydrocarbon derivatives Hydroxycinnamic acids Methoxyphenols Monocarboxylic acids and derivatives Monosaccharides O-glycosyl compounds Organic cations Organic oxides Oxacyclic compounds Oxanes Phenoxy compounds Polyols Secondary alcohols Styrenes Vinylogous acids 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 3p-methoxyflavonoid-skeleton 4'-hydroxyflavonoid 7-hydroxyflavonoid Acetal Alcohol Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Benzenoid Benzopyran Carbonyl group Carboximidic acid Carboxylic acid derivative Cinnamic acid Cinnamic acid or derivatives Coumaric acid Coumaric acid or derivatives Dimethoxybenzene Ether Flavonoid-3-o-glycoside Glycosyl compound Heteroaromatic compound Hydrocarbon derivative Hydroxycinnamic acid Hydroxycinnamic acid or derivatives Hydroxyflavonoid M-dimethoxybenzene Methoxybenzene Methoxyphenol Monocarboxylic acid or derivatives Monocyclic benzene moiety Monosaccharide O-glycosyl compound Organic cation Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Phenol Phenol ether Phenoxy compound Polyol Secondary alcohol Styrene Vinylogous acid logp 3.41 ALOGPS logs -4.35 ALOGPS solubility 3.04e-02 g/l ALOGPS logp 3.58 ChemAxon pka_strongest_acidic 6.38 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac 5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-{[3,4,5-trihydroxy-6-({[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}methyl)oxan-2-yl]oxy}-1lambda4-chromen-1-ylium ChemAxon average_mass 639.5801 ChemAxon mono_mass 639.1713807 ChemAxon smiles COC1=CC(=CC(OC)=C1O)C1=[O+]C2=C(C=C1OC1OC(COC(=O)\C=C\C3=CC=C(O)C=C3)C(O)C(O)C1O)C(O)=CC(O)=C2 ChemAxon formula C32H31O14 ChemAxon inchi InChI=1S/C32H30O14/c1-41-22-9-16(10-23(42-2)27(22)37)31-24(13-19-20(35)11-18(34)12-21(19)44-31)45-32-30(40)29(39)28(38)25(46-32)14-43-26(36)8-5-15-3-6-17(33)7-4-15/h3-13,25,28-30,32,38-40H,14H2,1-2H3,(H3-,33,34,35,36,37)/p+1 ChemAxon inchikey HXQOVGDXCHFLOP-UHFFFAOYSA-O ChemAxon polar_surface_area 217.97 ChemAxon refractivity 168.75 ChemAxon polarizability 63.34 ChemAxon rotatable_bond_count 10 ChemAxon acceptor_count 13 ChemAxon donor_count 7 ChemAxon physiological_charge 0 ChemAxon formal_charge 1 ChemAxon Specdb::MsMs 76995 Specdb::MsMs 76996 Specdb::MsMs 76997 Specdb::MsMs 136986 Specdb::MsMs 136987 Specdb::MsMs 136988 Specdb::MsMs 2755990 Specdb::MsMs 2755991 Specdb::MsMs 2755992 Specdb::CMs 21953 Specdb::CMs 604146 Specdb::CMs 604147 Specdb::CMs 604148 Specdb::CMs 604149 Specdb::CMs 604150 Specdb::CMs 604151 Specdb::CMs 604152 Specdb::CMs 604153 Specdb::CMs 604154 Specdb::CMs 604155 Specdb::CMs 604156 Specdb::CMs 604157 Specdb::CMs 604158 Specdb::CMs 604159 Specdb::CMs 604160 Specdb::CMs 604161 Specdb::CMs 604162 Specdb::CMs 604163 Specdb::CMs 604164 Specdb::CMs 604165 Specdb::CMs 604166 Specdb::CMs 604167 Specdb::CMs 604168 Specdb::CMs 604169 HMDB38012 Alcoholic beverages Unknown generic Common grape Type 1 specific Vitis vinifera 29760 9.914444 9.914444208 9.914444208 mg/100 g Fruits Unknown generic Grape wine Type 2 specific 1.955116 1.955116134 1.955116134 mg/100 g Highbush blueberry Type 1 specific Vaccinium corymbosum 69266 0.0 0.0 0.0 mg/100 g Rubus (Blackberry, Raspberry) Type 1 specific Rubus 23216 0.0 0.0 0.0 mg/100 g Summer grape Type 1 specific Vitis aestivalis 3605 2.44 2.440000057 2.440000057 mg/100 g