1.0 2010-04-08 22:12:43 UTC 2025-11-19 01:50:45 UTC FDB016897 3',4',5-Trihydroxy-3-methoxy-6,7-methylenedioxyflavone 4'-glucuronide Isolated from spinach (Spinacia oleracea). 3',4',5-Trihydroxy-3-methoxy-6,7-methylenedioxyflavone 4'-glucuronide is found in green vegetables and spinach. 3',4',5-Trihydroxy-3-methoxy-6,7-methylenedioxyflavone 4'-glucuronide 3',4',5-Trihydroxy-3-methoxy-6,7-methylenedioxyflavone 4'-O-b-D-glucuronide 3',4',5-Trihydroxy-3-methoxy-6,7-methylenedioxyflavone 4'-O-b-D-glucuronopyranoside C23H20O14 520.3965 520.085305348 3,4,5-trihydroxy-6-(2-hydroxy-4-{9-hydroxy-7-methoxy-8-oxo-2H,8H-[1,3]dioxolo[4,5-g]chromen-6-yl}phenoxy)oxane-2-carboxylic acid 3,4,5-trihydroxy-6-(2-hydroxy-4-{9-hydroxy-7-methoxy-8-oxo-2H-[1,3]dioxolo[4,5-g]chromen-6-yl}phenoxy)oxane-2-carboxylic acid 617-45-8 COC1=C(OC2=CC3=C(OCO3)C(O)=C2C1=O)C1=CC(O)=C(OC2OC(C(O)C(O)C2O)C(O)=O)C=C1 InChI=1S/C23H20O14/c1-32-20-14(26)12-10(5-11-19(13(12)25)34-6-33-11)35-18(20)7-2-3-9(8(24)4-7)36-23-17(29)15(27)16(28)21(37-23)22(30)31/h2-5,15-17,21,23-25,27-29H,6H2,1H3,(H,30,31) CHIQYVBCRPLTQS-UHFFFAOYSA-N belongs to the class of organic compounds known as flavonoid o-glucuronides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to glucuronic acid. Flavonoid O-glucuronides Organic compounds Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 3'-hydroxyflavonoids 3-O-methylated flavonoids 3-methoxychromones 5-hydroxyflavonoids Acetals Alkyl aryl ethers Benzodioxoles Beta hydroxy acids and derivatives Carbonyl compounds Carboxylic acids Flavones Heteroaromatic compounds Hydrocarbon derivatives Monocarboxylic acids and derivatives Monosaccharides O-glucuronides O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Phenol ethers 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 3-methoxychromone 3-methoxyflavonoid-skeleton 5-hydroxyflavonoid Acetal Alcohol Alkyl aryl ether Aromatic heteropolycyclic compound Benzenoid Benzodioxole Benzopyran Beta-hydroxy acid Carbonyl group Carboxylic acid Carboxylic acid derivative Chromone Ether Flavone Flavonoid-4p-o-glucuronide Glucuronic acid or derivatives Glycosyl compound Heteroaromatic compound Hydrocarbon derivative Hydroxy acid Hydroxyflavonoid 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 1.22 ALOGPS logs -2.69 ALOGPS solubility 1.06e+00 g/l ALOGPS melting_point Mp 197-198° logp 0.25 ChemAxon pka_strongest_acidic 2.97 ChemAxon pka_strongest_basic -3.7 ChemAxon iupac 3,4,5-trihydroxy-6-(2-hydroxy-4-{9-hydroxy-7-methoxy-8-oxo-2H,8H-[1,3]dioxolo[4,5-g]chromen-6-yl}phenoxy)oxane-2-carboxylic acid ChemAxon average_mass 520.3965 ChemAxon mono_mass 520.085305348 ChemAxon smiles COC1=C(OC2=CC3=C(OCO3)C(O)=C2C1=O)C1=CC(O)=C(OC2OC(C(O)C(O)C2O)C(O)=O)C=C1 ChemAxon formula C23H20O14 ChemAxon inchi InChI=1S/C23H20O14/c1-32-20-14(26)12-10(5-11-19(13(12)25)34-6-33-11)35-18(20)7-2-3-9(8(24)4-7)36-23-17(29)15(27)16(28)21(37-23)22(30)31/h2-5,15-17,21,23-25,27-29H,6H2,1H3,(H,30,31) ChemAxon inchikey CHIQYVBCRPLTQS-UHFFFAOYSA-N ChemAxon polar_surface_area 210.9 ChemAxon refractivity 117.41 ChemAxon polarizability 48.85 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 14 ChemAxon donor_count 6 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 12751 Specdb::CMs 45534 Specdb::MsMs 80205 Specdb::MsMs 80206 Specdb::MsMs 80207 Specdb::MsMs 141009 Specdb::MsMs 141010 Specdb::MsMs 141011 Specdb::MsMs 3042130 Specdb::MsMs 3042131 Specdb::MsMs 3042132 Specdb::MsMs 3098428 Specdb::MsMs 3098429 Specdb::MsMs 3098430 HMDB37757 #<Reference:0x000055ce327cae88> Green vegetables Unknown generic Spinach Type 1 specific Spinacia oleracea 3562