Summary

IMPPAT Phytochemical identifier: IMPHY004205

Phytochemical name: Kaempferol-7-rhamnoside

Synonymous chemical names:
kaempferol 7-rhamnoside, kaempferol-7-rhamnoside

External chemical identifiers:
CID:25079965, ChEMBL:CHEMBL1289337, ZINC:ZINC000059589077, FDASRS:79YJI9GIF1, SureChEMBL:SCHEMBL571498, MolPort-039-337-102

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Chemical structure information

SMILES:
O[C@H]1[C@@H](O[C@H]([C@@H]([C@H]1O)O)C)Oc1cc(O)c2c(c1)oc(c(c2=O)O)c1ccc(cc1)O

InChI:
InChI=1S/C21H20O10/c1-8-15(24)17(26)19(28)21(29-8)30-11-6-12(23)14-13(7-11)31-20(18(27)16(14)25)9-2-4-10(22)5-3-9/h2-8,15,17,19,21-24,26-28H,1H3/t8-,15-,17+,19+,21-/m0/s1

InChIKey:
HQNOUCSPWAGQND-GKLNBGJFSA-N

DeepSMILES:
O[C@H][C@@H]O[C@H][C@@H][C@H]6O))O))C)))OcccO)ccc6)occc6=O))O))cccccc6))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=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: 2.041

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Chemical structure download