1.0 2010-04-08 22:14:00 UTC 2025-11-19 02:15:29 UTC FDB018889 3,7-Dimethylquercetin 5-glucoside Isolated from maize (Zea mays) whorl tissue. 3,7-Dimethylquercetin 5-glucoside is found in cereals and cereal products and corn. 3,7-Dimethylquercetin 5-glucoside 3',4',5-Trihydroxy-3,7-dimethoxyflavone 5-glucoside Quercetin 3,7-dimethyl ether 5-glucoside C23H24O12 492.4295 492.126776232 2-(3,4-dihydroxyphenyl)-3,7-dimethoxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one 2-(3,4-dihydroxyphenyl)-3,7-dimethoxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-4-one 128388-46-5 COC1=CC2=C(C(=O)C(OC)=C(O2)C2=CC(O)=C(O)C=C2)C(OC2OC(CO)C(O)C(O)C2O)=C1 InChI=1S/C23H24O12/c1-31-10-6-13-16(14(7-10)34-23-20(30)19(29)17(27)15(8-24)35-23)18(28)22(32-2)21(33-13)9-3-4-11(25)12(26)5-9/h3-7,15,17,19-20,23-27,29-30H,8H2,1-2H3 IRESPESAHWABCC-UHFFFAOYSA-N belongs to the class of organic compounds known as flavonoid o-glycosides. Flavonoid O-glycosides are compounds containing a carbohydrate moiety which is O-glycosidically linked to the 2-phenylchromen-4-one flavonoid backbone. Flavonoid O-glycosides 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 4'-hydroxyflavonoids 7-O-methylated flavonoids Acetals Alkyl aryl ethers Anisoles Benzene and substituted derivatives Catechols Flavones Heteroaromatic compounds Hexoses Hydrocarbon derivatives O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Phenolic glycosides Polyols Primary alcohols Pyranones and derivatives Secondary alcohols Vinylogous esters 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 3'-hydroxyflavonoid 3-methoxychromone 3-methoxyflavonoid-skeleton 4'-hydroxyflavonoid 7-methoxyflavonoid-skeleton Acetal Alcohol Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Benzenoid Benzopyran Catechol Chromone Ether Flavone Flavonoid o-glycoside Flavonoid-5-o-glycoside Glycosyl compound Heteroaromatic compound Hexose monosaccharide Hydrocarbon derivative Hydroxyflavonoid Monocyclic benzene moiety Monosaccharide O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Phenol Phenolic glycoside Polyol Primary alcohol Pyran Pyranone Secondary alcohol Vinylogous ester logp 0.68 ALOGPS logs -2.83 ALOGPS solubility 7.32e-01 g/l ALOGPS logp -0.5 ChemAxon pka_strongest_acidic 8.56 ChemAxon pka_strongest_basic -3 ChemAxon iupac 2-(3,4-dihydroxyphenyl)-3,7-dimethoxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one ChemAxon average_mass 492.4295 ChemAxon mono_mass 492.126776232 ChemAxon smiles COC1=CC2=C(C(=O)C(OC)=C(O2)C2=CC(O)=C(O)C=C2)C(OC2OC(CO)C(O)C(O)C2O)=C1 ChemAxon formula C23H24O12 ChemAxon inchi InChI=1S/C23H24O12/c1-31-10-6-13-16(14(7-10)34-23-20(30)19(29)17(27)15(8-24)35-23)18(28)22(32-2)21(33-13)9-3-4-11(25)12(26)5-9/h3-7,15,17,19-20,23-27,29-30H,8H2,1-2H3 ChemAxon inchikey IRESPESAHWABCC-UHFFFAOYSA-N ChemAxon polar_surface_area 184.6 ChemAxon refractivity 118.24 ChemAxon polarizability 48.02 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 12 ChemAxon donor_count 6 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 12199 Specdb::CMs 46368 Specdb::CMs 158197 Specdb::MsMs 73926 Specdb::MsMs 73927 Specdb::MsMs 73928 Specdb::MsMs 133188 Specdb::MsMs 133189 Specdb::MsMs 133190 Specdb::MsMs 2776091 Specdb::MsMs 2776092 Specdb::MsMs 2776093 Specdb::MsMs 2906055 Specdb::MsMs 2906056 Specdb::MsMs 2906057 Specdb::NmrOneD 32362 Specdb::NmrOneD 32363 Specdb::NmrOneD 32364 Specdb::NmrOneD 32365 Specdb::NmrOneD 32366 Specdb::NmrOneD 32367 Specdb::NmrOneD 32368 Specdb::NmrOneD 32369 Specdb::NmrOneD 32370 Specdb::NmrOneD 32371 Specdb::NmrOneD 32372 Specdb::NmrOneD 32373 Specdb::NmrOneD 32374 Specdb::NmrOneD 32375 Specdb::NmrOneD 32376 Specdb::NmrOneD 32377 Specdb::NmrOneD 32378 Specdb::NmrOneD 32379 Specdb::NmrOneD 32380 Specdb::NmrOneD 32381 HMDB39336 #<Reference:0x000055ce31cc73d8> Amaranth Type 1 specific Amaranthus 3564 Annual wild rice Type 1 specific Zizania aquatica 75727 Barley Type 1 specific Hordeum vulgare 4513 Breakfast cereal Type 2 specific Bulgur Type 2 specific Cereals and cereal products Unknown generic Common buckwheat Type 1 specific Fagopyrum esculentum 3617 Common wheat Type 1 specific Triticum aestivum 4565 Corn Type 1 specific Zea mays 4577 Flour Type 2 specific Hard wheat Type 1 specific Triticum durum 4567 Millet Type 1 specific Panicum miliaceum 4540 Oat Type 1 specific Avena sativa 4498 Oriental wheat Type 1 specific Triticum turanicum 376534 Quinoa Type 1 specific Chenopodium quinoa 63459 Red rice Type 1 specific Oryza rufipogon 4529 Rice Type 1 specific Oryza sativa 4530 Rye Type 1 specific Secale cereale 4550 Sorghum Type 1 specific Sorghum bicolor 4558 Soy bean Type 1 specific Glycine max 3847 Spelt Type 1 specific Triticum spelta 58933 Tartary buckwheat Type 1 specific Fagopyrum tataricum 62330 Teff Type 1 specific Eragrostis tef 110835 Triticale Type 1 specific X Triticosecale rimpaui Wheat Type 1 specific Triticum 4564 Wild rice Type 1 specific Zizania 15949