1.0 2010-04-08 22:14:26 UTC 2025-11-19 02:20:41 UTC FDB019562 3-Methylquercetin 7-[galactosyl-(1->4)-glucoside] Constituent of the stems of Acacia catechu (black catechu) 3-Methylquercetin 7-[galactosyl-(1->4)-glucoside] 3',4',5,7-Tetrahydroxy-3-methoxyflavone 7-[galactosyl-(1->4)-glucoside] 3',4',5,7-Tetrahydroxy-3-methoxyflavone 7-O-[b-D-galactopyranosyl-(1->4)-b-D-glucopyranoside] C28H32O17 640.5435 640.163949598 7-{[3,4-dihydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-2-(3,4-dihydroxyphenyl)-5-hydroxy-3-methoxy-4H-chromen-4-one 7-{[3,4-dihydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-2-(3,4-dihydroxyphenyl)-5-hydroxy-3-methoxychromen-4-one 480-19-3 COC1=C(OC2=CC(OC3OC(CO)C(OC4OC(CO)C(O)C(O)C4O)C(O)C3O)=CC(O)=C2C1=O)C1=CC(O)=C(O)C=C1 InChI=1S/C28H32O17/c1-40-26-19(35)17-13(33)5-10(6-14(17)42-24(26)9-2-3-11(31)12(32)4-9)41-27-23(39)21(37)25(16(8-30)44-27)45-28-22(38)20(36)18(34)15(7-29)43-28/h2-6,15-16,18,20-23,25,27-34,36-39H,7-8H2,1H3 ZEFAZHUPULGHQG-UHFFFAOYSA-N belongs to the class of organic compounds known as flavonoid-7-o-glucuronides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to glucuronic acid at the C7-position. Flavonoid-7-O-glucuronides Organic compounds Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 3'-O-methylated flavonoids 3'-hydroxyflavonoids 4'-hydroxyflavonoids 5-hydroxyflavonoids Acetals Alkyl aryl ethers Anisoles Beta hydroxy acids and derivatives Carbonyl compounds Carboxylic acids Catechols Chromones Flavones Flavonoid-7-O-glycosides Heteroaromatic compounds Hexoses Hydrocarbon derivatives Methoxybenzenes Methoxyphenols Monocarboxylic acids and derivatives O-glucuronides O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Phenolic glycosides Phenoxy compounds Polyols Pyranones and derivatives Secondary alcohols Vinylogous acids 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 1-o-glucuronide 3'-hydroxyflavonoid 3p-methoxyflavonoid-skeleton 4'-hydroxyflavonoid 5-hydroxyflavonoid Acetal Alcohol Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Benzenoid Benzopyran Beta-hydroxy acid Carbonyl group Carboxylic acid Carboxylic acid derivative Catechol Chromone Ether Flavone Flavonoid-7-o-glucuronide Flavonoid-7-o-glycoside Glucuronic acid or derivatives Glycosyl compound Heteroaromatic compound Hexose monosaccharide Hydrocarbon derivative Hydroxy acid Hydroxyflavonoid Methoxybenzene Methoxyphenol Monocarboxylic acid or derivatives Monocyclic benzene moiety Monosaccharide O-glucuronide O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Phenol Phenol ether Phenolic glycoside Phenoxy compound Polyol Pyran Pyranone Secondary alcohol Vinylogous acid logp -0.46 ALOGPS logs -2.27 ALOGPS solubility 3.40e+00 g/l ALOGPS melting_point Mp 283-284° logp -1.8 ChemAxon pka_strongest_acidic 8.11 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac 7-{[3,4-dihydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-2-(3,4-dihydroxyphenyl)-5-hydroxy-3-methoxy-4H-chromen-4-one ChemAxon average_mass 640.5435 ChemAxon mono_mass 640.163949598 ChemAxon smiles COC1=C(OC2=CC(OC3OC(CO)C(OC4OC(CO)C(O)C(O)C4O)C(O)C3O)=CC(O)=C2C1=O)C1=CC(O)=C(O)C=C1 ChemAxon formula C28H32O17 ChemAxon inchi InChI=1S/C28H32O17/c1-40-26-19(35)17-13(33)5-10(6-14(17)42-24(26)9-2-3-11(31)12(32)4-9)41-27-23(39)21(37)25(16(8-30)44-27)45-28-22(38)20(36)18(34)15(7-29)43-28/h2-6,15-16,18,20-23,25,27-34,36-39H,7-8H2,1H3 ChemAxon inchikey ZEFAZHUPULGHQG-UHFFFAOYSA-N ChemAxon polar_surface_area 274.75 ChemAxon refractivity 146.17 ChemAxon polarizability 61.9 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 17 ChemAxon donor_count 10 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 83304 Specdb::MsMs 83305 Specdb::MsMs 83306 Specdb::MsMs 144885 Specdb::MsMs 144886 Specdb::MsMs 144887 Specdb::MsMs 2775206 Specdb::MsMs 2775207 Specdb::MsMs 2775208 Specdb::MsMs 2907066 Specdb::MsMs 2907067 Specdb::MsMs 2907068 Specdb::CMs 23757 Specdb::CMs 612951 Specdb::CMs 612952 Specdb::CMs 612953 Specdb::CMs 612954 Specdb::CMs 612955 Specdb::CMs 612956 Specdb::CMs 612957 Specdb::CMs 612958 Specdb::CMs 612959 Specdb::CMs 612960 Specdb::CMs 612961 Specdb::CMs 612962 Specdb::CMs 612963 Specdb::CMs 612964 Specdb::CMs 612965 Specdb::CMs 612966 Specdb::CMs 612967 Specdb::CMs 612968 Specdb::CMs 612969 Specdb::CMs 612970 Specdb::CMs 612971 Specdb::CMs 612972 Specdb::CMs 612973 Specdb::CMs 612974 Specdb::NmrOneD 36842 Specdb::NmrOneD 36843 Specdb::NmrOneD 36844 Specdb::NmrOneD 36845 Specdb::NmrOneD 36846 Specdb::NmrOneD 36847 Specdb::NmrOneD 36848 Specdb::NmrOneD 36849 Specdb::NmrOneD 36850 Specdb::NmrOneD 36851 Specdb::NmrOneD 36852 Specdb::NmrOneD 36853 Specdb::NmrOneD 36854 Specdb::NmrOneD 36855 Specdb::NmrOneD 36856 Specdb::NmrOneD 36857 Specdb::NmrOneD 36858 Specdb::NmrOneD 36859 Specdb::NmrOneD 36860 Specdb::NmrOneD 36861 HMDB39901 #<Reference:0x000055ce326e8510>