Summary

IMPPAT Phytochemical identifier: IMPHY004550

Phytochemical name: 5-Hydroxy-3',4',7-trimethoxyflavone

Synonymous chemical names:
7,3',4'-tri-o-methylluteolin, flavone,5-hydroxy-3',4',7-trimethoxy, gonzalitosin i

External chemical identifiers:
CID:5272653, ChEMBL:CHEMBL468876, ZINC:ZINC000013838615, FDASRS:LXU4UA4TVC, SureChEMBL:SCHEMBL1421382, MolPort-019-937-021

---

Chemical structure information

SMILES:
COc1cc(O)c2c(c1)oc(cc2=O)c1ccc(c(c1)OC)OC

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

InChIKey:
HIXDQWDOVZUNNA-UHFFFAOYSA-N

DeepSMILES:
COcccO)ccc6)occc6=O)))cccccc6)OC)))OC

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: 0.863

---

Chemical structure download