1.0 2010-04-08 22:12:43 UTC 2025-11-19 01:50:46 UTC FDB016898 4',5-Dihydroxy-3,3'-dimethoxy-6,7-methylenedioxyflavone 4'-glucuronide Isolated from spinach (Spinacia oleracea). 4',5-Dihydroxy-3,3'-dimethoxy-6,7-methylenedioxyflavone 4'-glucuronide is found in green vegetables and spinach. 4',5-Dihydroxy-3,3'-dimethoxy-6,7-methylenedioxyflavone 4'-glucuronide 4',5-Dihydroxy-3,3'-dimethoxy-6,7-methylenedioxyflavone 4'-O-b-D-glucuronide 4',5-Dihydroxy-3,3'-dimethoxy-6,7-methylenedioxyflavone 4'-O-b-D-glucuronopyranoside C24H22O14 534.4231 534.100955412 3,4,5-trihydroxy-6-(4-{9-hydroxy-7-methoxy-8-oxo-2H,8H-[1,3]dioxolo[4,5-g]chromen-6-yl}-2-methoxyphenoxy)oxane-2-carboxylic acid 3,4,5-trihydroxy-6-(4-{9-hydroxy-7-methoxy-8-oxo-2H-[1,3]dioxolo[4,5-g]chromen-6-yl}-2-methoxyphenoxy)oxane-2-carboxylic acid 617-45-8 COC1=C(OC2OC(C(O)C(O)C2O)C(O)=O)C=CC(=C1)C1=C(OC)C(=O)C2=C(O)C3=C(OCO3)C=C2O1 InChI=1S/C24H22O14/c1-32-10-5-8(3-4-9(10)37-24-18(29)16(27)17(28)22(38-24)23(30)31)19-21(33-2)15(26)13-11(36-19)6-12-20(14(13)25)35-7-34-12/h3-6,16-18,22,24-25,27-29H,7H2,1-2H3,(H,30,31) SYRSHYBWNZNHHW-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-4-unsubstituted benzenoids 3'-O-methylated flavonoids 3-O-methylated flavonoids 3-methoxychromones 5-hydroxyflavonoids Acetals Alkyl aryl ethers Anisoles Benzodioxoles Beta hydroxy acids and derivatives Carbonyl compounds Carboxylic acids Flavones Heteroaromatic compounds Hydrocarbon derivatives Methoxybenzenes Monocarboxylic acids and derivatives Monosaccharides 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-4-unsubstituted benzenoid 1-o-glucuronide 3-methoxychromone 3-methoxyflavonoid-skeleton 3p-methoxyflavonoid-skeleton 5-hydroxyflavonoid Acetal Alcohol Alkyl aryl ether Anisole 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 Methoxybenzene 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 ether Phenolic glycoside Phenoxy compound Polyol Pyran Pyranone Secondary alcohol Vinylogous acid logp 0.99 ALOGPS logs -2.87 ALOGPS solubility 7.17e-01 g/l ALOGPS melting_point Mp 165-168° (softens at 140-145°) logp 0.39 ChemAxon pka_strongest_acidic 3.06 ChemAxon pka_strongest_basic -3.7 ChemAxon iupac 3,4,5-trihydroxy-6-(4-{9-hydroxy-7-methoxy-8-oxo-2H,8H-[1,3]dioxolo[4,5-g]chromen-6-yl}-2-methoxyphenoxy)oxane-2-carboxylic acid ChemAxon average_mass 534.4231 ChemAxon mono_mass 534.100955412 ChemAxon smiles COC1=C(OC2OC(C(O)C(O)C2O)C(O)=O)C=CC(=C1)C1=C(OC)C(=O)C2=C(O)C3=C(OCO3)C=C2O1 ChemAxon formula C24H22O14 ChemAxon inchi InChI=1S/C24H22O14/c1-32-10-5-8(3-4-9(10)37-24-18(29)16(27)17(28)22(38-24)23(30)31)19-21(33-2)15(26)13-11(36-19)6-12-20(14(13)25)35-7-34-12/h3-6,16-18,22,24-25,27-29H,7H2,1-2H3,(H,30,31) ChemAxon inchikey SYRSHYBWNZNHHW-UHFFFAOYSA-N ChemAxon polar_surface_area 199.9 ChemAxon refractivity 121.89 ChemAxon polarizability 50.89 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 14 ChemAxon donor_count 5 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 10610 Specdb::CMs 45535 Specdb::CMs 243741 Specdb::CMs 243743 Specdb::CMs 243745 Specdb::CMs 243747 Specdb::CMs 243749 Specdb::CMs 243751 Specdb::CMs 243753 Specdb::CMs 243755 Specdb::CMs 243757 Specdb::CMs 243759 Specdb::CMs 243761 Specdb::CMs 243763 Specdb::CMs 243765 Specdb::CMs 243767 Specdb::CMs 243769 Specdb::CMs 243771 Specdb::CMs 243773 Specdb::CMs 243775 Specdb::CMs 243777 Specdb::CMs 243779 Specdb::CMs 243781 Specdb::CMs 243783 Specdb::CMs 243785 Specdb::MsMs 87006 Specdb::MsMs 87007 Specdb::MsMs 87008 Specdb::MsMs 149418 Specdb::MsMs 149419 Specdb::MsMs 149420 Specdb::MsMs 2755654 Specdb::MsMs 2755655 Specdb::MsMs 2755656 Specdb::MsMs 2952771 Specdb::MsMs 2952772 Specdb::MsMs 2952773 HMDB37758 #<Reference:0x000055ce32ae85e8> Green vegetables Unknown generic Spinach Type 1 specific Spinacia oleracea 3562