1.02010-04-08 22:05:24 UTC2019-11-26 02:57:33 UTCFDB002523Quercetin 7-glucosideQuercetin 7-glucoside, also known as quercimeritrin, is a member of the class of compounds known as flavonoid-7-o-glycosides. Flavonoid-7-o-glycosides are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C7-position. Quercetin 7-glucoside is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Quercetin 7-glucoside can be found in a number of food items such as roman camomile, okra, dandelion, and cottonseed, which makes quercetin 7-glucoside a potential biomarker for the consumption of these food products. 7-Glucosyl quercetin7-O-b-D-Glucopyranosyloxy-3,3',4',5-tetrahydroxyflavoneGlucosyl-7-quercetinQuercetin 7-β-D-glucopyranosideQuercetin 7-β-D-glucosideQuercetin 7-glucosideQuercetin 7-monoglucosideQuercetin 7-O-β-D-glucopyranosideQuercetin 7-O-beta-D-glucosideQuercetin 7-O-glucosideQuercimeritrinQuercimeritrosideC21H20O12464.3763464.0954761042-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-onequercimeritrin491-50-9OC[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C(O)=C(OC3=C2)C2=CC=C(O)C(O)=C2)[C@H](O)[C@@H](O)[C@@H]1OInChI=1S/C21H20O12/c22-6-13-15(26)17(28)19(30)21(33-13)31-8-4-11(25)14-12(5-8)32-20(18(29)16(14)27)7-1-2-9(23)10(24)3-7/h1-5,13,15,17,19,21-26,28-30H,6H2/t13-,15-,17+,19-,21-/m1/s1BBFYUPYFXSSMNV-HMGRVEAOSA-N belongs to the class of organic compounds known as flavonoid-7-o-glycosides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C7-position.Flavonoid-7-O-glycosidesOrganic compoundsPhenylpropanoids and polyketidesFlavonoidsFlavonoid glycosidesAromatic heteropolycyclic compounds1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoids3'-hydroxyflavonoids3-hydroxyflavonoids4'-hydroxyflavonoids5-hydroxyflavonoidsAcetalsBenzene and substituted derivativesCatecholsChromonesFlavonolsHeteroaromatic compoundsHexosesHydrocarbon derivativesO-glycosyl compoundsOrganic oxidesOxacyclic compoundsOxanesPhenolic glycosidesPolyolsPrimary alcoholsPyranones and derivativesSecondary alcoholsVinylogous acids1-benzopyran1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoid3'-hydroxyflavonoid3-hydroxyflavone3-hydroxyflavonoid4'-hydroxyflavonoid5-hydroxyflavonoidAcetalAlcoholAromatic heteropolycyclic compoundBenzenoidBenzopyranCatecholChromoneFlavoneFlavonoid-7-o-glycosideGlycosyl compoundHeteroaromatic compoundHexose monosaccharideHydrocarbon derivativeHydroxyflavonoidMonocyclic benzene moietyMonosaccharideO-glycosyl compoundOrganic oxideOrganic oxygen compoundOrganoheterocyclic compoundOrganooxygen compoundOxacycleOxanePhenolPhenolic glycosidePolyolPrimary alcoholPyranPyranoneSecondary alcoholVinylogous acidFlavones and Flavonolsbeta-D-glucosideflavonolsflavonolsmonosaccharide derivativequercetin O-glucosidetetrahydroxyflavonelogp0.62logs-2.46solubility1.61e+00 g/lmelting_pointMp 249-250°logp-0.11pka_strongest_acidic7.98pka_strongest_basic-3iupac2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-oneaverage_mass464.3763mono_mass464.095476104smilesOC[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C(O)=C(OC3=C2)C2=CC=C(O)C(O)=C2)[C@H](O)[C@@H](O)[C@@H]1OformulaC21H20O12inchiInChI=1S/C21H20O12/c22-6-13-15(26)17(28)19(30)21(33-13)31-8-4-11(25)14-12(5-8)32-20(18(29)16(14)27)7-1-2-9(23)10(24)3-7/h1-5,13,15,17,19,21-26,28-30H,6H2/t13-,15-,17+,19-,21-/m1/s1inchikeyBBFYUPYFXSSMNV-HMGRVEAOSA-Npolar_surface_area206.6refractivity109.01polarizability43.89rotatable_bond_count4acceptor_count12donor_count8physiological_charge0formal_charge0Specdb::MsMs105225Specdb::MsMs105226Specdb::MsMs105227Specdb::MsMs171681Specdb::MsMs171682Specdb::MsMs171683Specdb::MsMs3599104Specdb::MsMs3599105Specdb::MsMs3599106Specdb::MsMs3599107Specdb::MsMs3599108Specdb::MsMs359910928529Black teaType 1Common grapeType 1specificVitis vinifera29760CottonseedType 1specificGossypium3633DandelionType 1specificTaraxacum officinale50225German camomileType 1specificMatricaria recutita127986Green teaType 1Herbal teaType 1OkraType 1specificAbelmoschus esculentus455045PomegranateType 1specificPunica granatum22663Red teaType 1Roman camomileType 1specificChamaemelum nobile99037SunflowerType 1specificHelianthus annuus42322.22.22.2mg/100 gTeaType 1specificCamellia sinensis4442aldose reductase inhibitor40An EC 1.1.1.* (oxidoreductase acting on donor CH-OH group, NAD(+) or NADP(+) acceptor) inhibitor that interferes with the action of aldehyde reductase (EC 1.1.1.21).anti herpetic329A substance that destroys or inhibits replication of viruses.anti viral689A substance that destroys or inhibits replication of viruses.Insectiphile1042Strictly, a substance intended to kill members of the class Insecta. In common usage, any substance used for preventing, destroying, repelling or controlling insects.pesticide1210Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests.