Summary

IMPPAT Phytochemical identifier: IMPHY006387

Phytochemical name: Kaempferol 3,7,4'-trimethyl ether

Synonymous chemical names:
5-hydroxy-3,7,4'-trimethoxyflavone, flavone, 5-hydroxy-3,7,4'-trimethoxy

External chemical identifiers:
CID:5468749, ChEMBL:CHEMBL77686, ZINC:ZINC000005733532, SureChEMBL:SCHEMBL4649968, MolPort-001-741-187

---

Chemical structure information

SMILES:
COc1ccc(cc1)c1oc2cc(OC)cc(c2c(=O)c1OC)O

InChI:
InChI=1S/C18H16O6/c1-21-11-6-4-10(5-7-11)17-18(23-3)16(20)15-13(19)8-12(22-2)9-14(15)24-17/h4-9,19H,1-3H3

InChIKey:
WSQWAMGRHJQANC-UHFFFAOYSA-N

DeepSMILES:
COcccccc6))cocccOC))ccc6c=O)c%10OC)))))O

Functional groups:
c=O, cO, cOC, coc

---

Molecular scaffolds

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

Scaffold Graph/Node level:
OC1CC(C2CCCCC2)OC2CCCCC12

Scaffold Graph level:
CC1CC(C2CCCCC2)CC2CCCCC12

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Flavonoids

ClassyFire Subclass: O-methylated flavonoids

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Flavonols

NP-Likeness score: 1

---

Chemical structure download