1.0 2010-04-08 22:12:56 UTC 2025-11-19 01:52:28 UTC FDB017184 Cyanidin 3-(caffeoylglucoside) Isolated from grapes and other plant subspecies Cyanidin 3-(caffeoylglucoside) is found in many foods, some of which are gooseberry, black chokeberry, blackcurrant, and black elderberry. Cyanidin 3-(6''-caffeylglucoside) Cyanidin 3-(caffeoylglucoside) Cyanidin 3-O-(6''-caffeoyl-glucoside) C30H27O14 611.531 611.13953197 [3-(3,4-dihydroxyphenyl)-1-hydroxyprop-2-en-1-ylidene]({[(3S,6S)-6-{[2-(3,4-dihydroxyphenyl)-7-hydroxy-5-oxo-5H-chromen-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl})oxidanium [3-(3,4-dihydroxyphenyl)-1-hydroxyprop-2-en-1-ylidene]({[(3S,6S)-6-{[2-(3,4-dihydroxyphenyl)-7-hydroxy-5-oxochromen-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl})oxidanium 28983-74-6 [H]C1(C[O+]=C(O)C=CC2=CC(O)=C(O)C=C2)O[C@@]([H])(OC2=C(OC3=CC(O)=CC(=O)C3=C2)C2=CC(O)=C(O)C=C2)C([H])(O)C([H])(O)[C@]1([H])O InChI=1S/C30H26O14/c31-15-9-19(34)16-11-23(29(42-22(16)10-15)14-3-5-18(33)21(36)8-14)43-30-28(40)27(39)26(38)24(44-30)12-41-25(37)6-2-13-1-4-17(32)20(35)7-13/h1-11,24,26-28,30,38-40H,12H2,(H5-,31,32,33,34,35,36,37)/p+1/t24?,26-,27?,28?,30-/m1/s1 RTVUMLBJQCCROY-RYHKZSCWSA-O belongs to the class of organic compounds known as anthocyanidin 3-o-6-p-coumaroyl glycosides. These are anthocyanidin 3-O-glycosides where the carbohydrate moiety is esterified at the C6 position with a p-coumaric acid. P-coumaric acid is an organic derivative of cinnamic acid, that carries a hydroxyl group at the 4-position of the benzene ring. Anthocyanidin 3-O-6-p-coumaroyl glycosides Organic compounds Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides Aromatic heteropolycyclic compounds 1-benzopyrans 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 3'-hydroxyflavonoids 4'-hydroxyflavonoids 5-hydroxyflavonoids 7-hydroxyflavonoids Acetals Anthocyanidin-3-O-glycosides Anthocyanidins Carbonyl compounds Catechols Cinnamic acid esters Coumaric acids and derivatives Enoate esters Fatty acid esters Flavonoid-3-O-glycosides Heteroaromatic compounds Hydrocarbon derivatives Monocarboxylic acids and derivatives Monosaccharides O-glycosyl compounds Organic cations Organic oxides Oxacyclic compounds Oxanes Polyols Secondary alcohols Styrenes 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 3'-hydroxyflavonoid 4'-hydroxyflavonoid 5-hydroxyflavonoid 7-hydroxyflavonoid Acetal Alcohol Alpha,beta-unsaturated carboxylic ester Anthocyanidin Anthocyanidin 3-o-6-p-coumaroyl-glycoside Anthocyanidin-3-o-glycoside Anthocyanin Aromatic heteropolycyclic compound Benzenoid Benzopyran Carbonyl group Carboxylic acid derivative Carboxylic acid ester Catechol Cinnamic acid ester Cinnamic acid or derivatives Coumaric acid or derivatives Enoate ester Fatty acid ester Fatty acyl Flavonoid-3-o-glycoside Glycosyl compound Heteroaromatic compound Hydrocarbon derivative Hydroxycinnamic acid or derivatives Hydroxyflavonoid 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 Polyol Secondary alcohol Styrene Anthocyanidins logp 2.82 ALOGPS logs -3.88 ALOGPS solubility 8.59e-02 g/l ALOGPS logp -4.6 ChemAxon pka_strongest_acidic -3 ChemAxon pka_strongest_basic 2.55 ChemAxon iupac [3-(3,4-dihydroxyphenyl)-1-hydroxyprop-2-en-1-ylidene]({[(3S,6S)-6-{[2-(3,4-dihydroxyphenyl)-7-hydroxy-5-oxo-5H-chromen-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl})oxidanium ChemAxon average_mass 611.531 ChemAxon mono_mass 611.13953197 ChemAxon smiles [H]C1(C[O+]=C(O)C=CC2=CC(O)=C(O)C=C2)O[C@@]([H])(OC2=C(OC3=CC(O)=CC(=O)C3=C2)C2=CC(O)=C(O)C=C2)C([H])(O)C([H])(O)[C@]1([H])O ChemAxon formula C30H27O14 ChemAxon inchi InChI=1S/C30H26O14/c31-15-9-19(34)16-11-23(29(42-22(16)10-15)14-3-5-18(33)21(36)8-14)43-30-28(40)27(39)26(38)24(44-30)12-41-25(37)6-2-13-1-4-17(32)20(35)7-13/h1-11,24,26-28,30,38-40H,12H2,(H5-,31,32,33,34,35,36,37)/p+1/t24?,26-,27?,28?,30-/m1/s1 ChemAxon inchikey RTVUMLBJQCCROY-RYHKZSCWSA-O ChemAxon polar_surface_area 260.97 ChemAxon refractivity 167.49 ChemAxon polarizability 59.52 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 14 ChemAxon donor_count 9 ChemAxon physiological_charge 0 ChemAxon formal_charge 1 ChemAxon Specdb::MsMs 64698 Specdb::MsMs 64699 Specdb::MsMs 64700 Specdb::MsMs 121929 Specdb::MsMs 121930 Specdb::MsMs 121931 Black chokeberry Type 1 specific Photinia melanocarpa 661339 0.0 0.0 0.0 mg/100 g Black elderberry Type 1 specific Sambucus nigra 4202 0.0 0.0 0.0 mg/100 g Blackcurrant Type 1 specific Ribes nigrum 78511 0.0 0.0 0.0 mg/100 g Fruits Unknown generic Gooseberry Type 1 specific Ribes uva-crispa 135518 0.234738 0.234738298 0.234738298 mg/100 g Redcurrant Type 1 specific Ribes rubrum 175228 0.0 0.0 0.0 mg/100 g