Summary

IMPPAT Phytochemical identifier: IMPHY008881

Phytochemical name: Kaempferol-3,4'-o-dimethylether

Synonymous chemical names:
kaempferol-3,4'-o-dimethylether, kaempferol-3,4’-o-dimethylether

External chemical identifiers:
CID:129825756

---

Chemical structure information

SMILES:
COCc1c(O)cc2c(c1O)c(=O)c(c(o2)c1ccc(cc1)O)O

InChI:
InChI=1S/C17H14O7/c1-23-7-10-11(19)6-12-13(14(10)20)15(21)16(22)17(24-12)8-2-4-9(18)5-3-8/h2-6,18-20,22H,7H2,1H3

InChIKey:
XPMQYGOBKCZILB-UHFFFAOYSA-N

DeepSMILES:
COCccO)cccc6O))c=O)cco6)cccccc6))O))))))O

Functional groups:
COC, c=O, cO, 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: Flavones

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Flavonols

NP-Likeness score: 1.418

---

Chemical structure download