Summary

IMPPAT Phytochemical identifier: IMPHY015048

Phytochemical name: quercetin 3-O-alpha-L-rhamnofuranoside

Synonymous chemical names:
quercetin-3-o-alpha-l- rhamno-furanoside, quercetin-3-o-alpha-l-rhamnofuranoside

External chemical identifiers:
CID:72193677, ChEBI:75893, ZINC:ZINC000096095419

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Chemical structure information

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

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

InChIKey:
OEKUVLQNKPXSOY-RQUDOJENSA-N

DeepSMILES:
OcccO)ccc6)occc6=O))O[C@@H]O[C@H][C@H][C@H]5O))O))[C@@H]O)C)))))))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(OC2CCCO2)c(-c2ccccc2)oc2ccccc12

Scaffold Graph/Node level:
OC1C2CCCCC2OC(C2CCCCC2)C1OC1CCCO1

Scaffold Graph level:
CC1C2CCCCC2CC(C2CCCCC2)C1CC1CCCC1

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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: 2.095

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Chemical structure download