Summary

IMPPAT Phytochemical identifier: IMPHY014774

Phytochemical name: Quercetin 7-O-glucoside

Synonymous chemical names:
7-glucosylquercetin, quercetin 7-o-β-d-glucopyranoside

External chemical identifiers:
CID:5381351, SureChEMBL:SCHEMBL3644926

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Chemical structure information

SMILES:
OCC1OC(Oc2cc(O)c3c(c2)oc(c(c3=O)O)c2ccc(c(c2)O)O)C(C(C1O)O)O

InChI:
InChI=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

InChIKey:
BBFYUPYFXSSMNV-UHFFFAOYSA-N

DeepSMILES:
OCCOCOcccO)ccc6)occc6=O))O))cccccc6)O))O)))))))))))))CCC6O))O))O

Functional groups:
CO, c=O, cO, cOC(C)OC, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1cc(-c2ccccc2)oc2cc(OC3CCCCO3)ccc12

Scaffold Graph/Node level:
OC1CC(C2CCCCC2)OC2CC(OC3CCCCO3)CCC12

Scaffold Graph level:
CC1CC(C2CCCCC2)CC2CC(CC3CCCCC3)CCC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Flavonoids

ClassyFire Subclass: Flavonoid glycosides

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Flavonols

NP-Likeness score: 2.092

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Chemical structure download