1.0 2010-04-08 22:12:56 UTC 2025-11-19 01:52:26 UTC FDB017176 Cyanidin 3-(6''-ferulylglucoside) 5-glucoside Isolated from perilla Perilla frutescens variety crispa. Cyanidin 3-(6''-ferulylglucoside) 5-glucoside is found in herbs and spices. 3-O-[4-Hydroxy-3-methoxycinnamoyl-(->6)-b-D-glucopyranoside], 5-O-b-D-glucopyranoside 3,3',4',5,7-Pentahydroxyflavylium(1+); 3-O-[4-Hydroxy-3-methoxycinnamoyl-(->6)-b-D-glucopyranoside], 5-O-b-D-glucopyranoside Cyanidin 3-(6''-ferulylglucoside)-5-glucoside Cyanidin 3-O-[4-Hydroxy-3-methoxycinnamoyl-(->6)-b-D-glucopyranoside] 5-O-b-D-glucopyranoside C37H39O19 787.6942 787.208554066 2-(3,4-dihydroxyphenyl)-7-hydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-{[3,4,5-trihydroxy-6-({[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}methyl)oxan-2-yl]oxy}-1λ⁴-chromen-1-ylium 2-(3,4-dihydroxyphenyl)-7-hydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-{[3,4,5-trihydroxy-6-({[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}methyl)oxan-2-yl]oxy}-1λ⁴-chromen-1-ylium 124660-19-1 COC1=C(O)C=CC(\C=C\C(=O)OCC2OC(OC3=C([O+]=C4C=C(O)C=C(OC5OC(CO)C(O)C(O)C5O)C4=C3)C3=CC(O)=C(O)C=C3)C(O)C(O)C2O)=C1 InChI=1S/C37H38O19/c1-50-24-8-15(2-5-20(24)41)3-7-28(43)51-14-27-30(45)32(47)34(49)37(56-27)54-25-12-18-22(52-35(25)16-4-6-19(40)21(42)9-16)10-17(39)11-23(18)53-36-33(48)31(46)29(44)26(13-38)55-36/h2-12,26-27,29-34,36-38,44-49H,13-14H2,1H3,(H3-,39,40,41,42,43)/p+1 NDRLBVWGLKJENX-UHFFFAOYSA-O belongs to the class of organic compounds known as flavonoid 3-o-p-coumaroyl glycosides. These are flavonoid 3-O-glycosides where the carbohydrate moiety is esterified 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. Flavonoid 3-O-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 7-hydroxyflavonoids Acetals Alkyl aryl ethers Anisoles Anthocyanidin-3-O-glycosides Anthocyanidin-5-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 Methoxybenzenes Methoxyphenols Monocarboxylic acids and derivatives Monosaccharides O-glycosyl compounds Organic cations Organic oxides Oxacyclic compounds Oxanes Phenolic glycosides Phenoxy compounds Polyols Primary alcohols Secondary alcohols Styrenes 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 3'-hydroxyflavonoid 4'-hydroxyflavonoid 7-hydroxyflavonoid Acetal Alcohol Alkyl aryl ether Alpha,beta-unsaturated carboxylic ester Anisole Anthocyanidin Anthocyanidin-3-o-glycoside Anthocyanidin-5-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 Ether Fatty acid ester Fatty acyl Flavonoid 3-o-6-p-coumaroyl-glycoside Flavonoid-3-o-glycoside Glycosyl compound Heteroaromatic compound Hydrocarbon derivative Hydroxycinnamic acid or derivatives Hydroxyflavonoid 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 Phenolic glycoside Phenoxy compound Polyol Primary alcohol Secondary alcohol Styrene logp 1.83 ALOGPS logs -3.65 ALOGPS solubility 1.86e-01 g/l ALOGPS logp 0.88 ChemAxon pka_strongest_acidic 6.65 ChemAxon pka_strongest_basic -3.7 ChemAxon iupac 2-(3,4-dihydroxyphenyl)-7-hydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-{[3,4,5-trihydroxy-6-({[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}methyl)oxan-2-yl]oxy}-1λ⁴-chromen-1-ylium ChemAxon average_mass 787.6942 ChemAxon mono_mass 787.208554066 ChemAxon smiles COC1=C(O)C=CC(\C=C\C(=O)OCC2OC(OC3=C([O+]=C4C=C(O)C=C(OC5OC(CO)C(O)C(O)C5O)C4=C3)C3=CC(O)=C(O)C=C3)C(O)C(O)C2O)=C1 ChemAxon formula C37H39O19 ChemAxon inchi InChI=1S/C37H38O19/c1-50-24-8-15(2-5-20(24)41)3-7-28(43)51-14-27-30(45)32(47)34(49)37(56-27)54-25-12-18-22(52-35(25)16-4-6-19(40)21(42)9-16)10-17(39)11-23(18)53-36-33(48)31(46)29(44)26(13-38)55-36/h2-12,26-27,29-34,36-38,44-49H,13-14H2,1H3,(H3-,39,40,41,42,43)/p+1 ChemAxon inchikey NDRLBVWGLKJENX-UHFFFAOYSA-O ChemAxon polar_surface_area 308.12 ChemAxon refractivity 196.41 ChemAxon polarizability 75.2 ChemAxon rotatable_bond_count 12 ChemAxon acceptor_count 17 ChemAxon donor_count 11 ChemAxon physiological_charge 0 ChemAxon formal_charge 1 ChemAxon Specdb::CMs 786508 Specdb::CMs 786509 Specdb::CMs 786510 Specdb::CMs 786511 Specdb::CMs 786512 Specdb::CMs 786513 Specdb::CMs 786514 Specdb::CMs 786515 Specdb::CMs 786516 Specdb::CMs 786517 Specdb::CMs 786518 Specdb::MsMs 72207 Specdb::MsMs 72208 Specdb::MsMs 72209 Specdb::MsMs 131049 Specdb::MsMs 131050 Specdb::MsMs 131051 Specdb::MsMs 2779477 Specdb::MsMs 2779478 Specdb::MsMs 2779479 HMDB37987 #<Reference:0x000055ce321f8e88> Herbs and Spices Unknown generic