Summary

IMPPAT Phytochemical identifier: IMPHY004388

Phytochemical name: Kaempferol

Synonymous chemical names:
3,4',5,7-tetrahydroxyflavone, 3,4’,5,7-tetrahydroxyflavone, campherol, flavone,3,4',5,7-tetrahydroxy, kaemferol, kaempferol, kamepferol, kampferol, kempferol, nimbocetin, populnetin

External chemical identifiers:
CID:5280863, ChEMBL:CHEMBL150, ChEBI:28499, ZINC:ZINC000003869768, FDASRS:731P2LE49E, SureChEMBL:SCHEMBL18817, MolPort-001-741-568

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Chemical structure information

SMILES:
Oc1ccc(cc1)c1oc2cc(O)cc(c2c(=O)c1O)O

InChI:
InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H

InChIKey:
IYRMWMYZSQPJKC-UHFFFAOYSA-N

DeepSMILES:
Occcccc6))cocccO)ccc6c=O)c%10O))))O

Functional groups:
c=O, cO, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1cc(-c2ccccc2)oc2ccccc12

Scaffold Graph/Node level:
OC1CC(C2CCCCC2)OC2CCCCC12

Scaffold Graph level:
CC1CC(C2CCCCC2)CC2CCCCC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Flavonoids

ClassyFire Subclass: Flavones

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Flavonols

NP-Likeness score: 1.546

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Chemical structure download