Summary

IMPPAT Phytochemical identifier: IMPHY012716

Phytochemical name: Quercetin-3-O-alpha-L-rhamnopyranoside

Synonymous chemical names:
quercetin-3-o-alpha-l-rhamnopyranoside, quercetin-3-o-α-l-rhamnopyranoside

External chemical identifiers:
CID:6325794, ZINC:ZINC000009147120

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Chemical structure information

SMILES:
Oc1cc(O)c2c(c1)oc(c(c2=O)O[C@@H]1O[C@@H](C)[C@H]([C@H]([C@H]1O)O)O)c1ccc(c(c1)O)O

InChI:
InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3/t7-,15+,17+,18+,21-/m0/s1

InChIKey:
OXGUCUVFOIWWQJ-OQCXDQQJSA-N

DeepSMILES:
OcccO)ccc6)occc6=O))O[C@@H]O[C@@H]C)[C@H][C@H][C@H]6O))O))O)))))))cccccc6)O))O

Functional groups:
CO, c=O, cO, cO[C@@H](C)OC, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1c(OC2CCCCO2)c(-c2ccccc2)oc2ccccc12

Scaffold Graph/Node level:
OC1C2CCCCC2OC(C2CCCCC2)C1OC1CCCCO1

Scaffold Graph level:
CC1C2CCCCC2CC(C2CCCCC2)C1CC1CCCCC1

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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: 2.165

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Chemical structure download