Summary

IMPPAT Phytochemical identifier: IMPHY013227

Phytochemical name: 7-Hydroxy-5-methoxy-6,8-dimethylflavone

Synonymous chemical names:
7-hydroxy-5-methoxy-6,8-dimethyl flavone

External chemical identifiers:
CID:14753671, ChEMBL:CHEMBL1271260, ChEBI:70656, ZINC:ZINC000064527095, SureChEMBL:SCHEMBL661087

---

Chemical structure information

SMILES:
COc1c(C)c(O)c(c2c1c(=O)cc(o2)c1ccccc1)C

InChI:
InChI=1S/C18H16O4/c1-10-16(20)11(2)18-15(17(10)21-3)13(19)9-14(22-18)12-7-5-4-6-8-12/h4-9,20H,1-3H3

InChIKey:
NXIOJDXYHLKSSC-UHFFFAOYSA-N

DeepSMILES:
COccC)cO)ccc6c=O)cco6)cccccc6)))))))))))C

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: Flavones

NP-Likeness score: 1.263

---

Chemical structure download