Summary

IMPPAT Phytochemical identifier: IMPHY007575

Phytochemical name: 4',5,6,7-Tetramethoxyflavone

Synonymous chemical names:
flavone, 4',5,6,7-tetramethoxy, flavone, 5,6,7,4'-tetramethoxy, o-tetramethyl scutellarein, scutellarein tetramethyl ether, scutellarein tetramethylether, scutellarin tetramethyl ether, tetra-o-methylscutellarein

External chemical identifiers:
CID:96118, ChEMBL:CHEMBL75349, ChEBI:34357, ZINC:ZINC000000265434, FDASRS:DWN851IYG6, SureChEMBL:SCHEMBL739115, MolPort-001-741-266

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Chemical structure information

SMILES:
COc1ccc(cc1)c1cc(=O)c2c(o1)cc(c(c2OC)OC)OC

InChI:
InChI=1S/C19H18O6/c1-21-12-7-5-11(6-8-12)14-9-13(20)17-15(25-14)10-16(22-2)18(23-3)19(17)24-4/h5-10H,1-4H3

InChIKey:
URSUMOWUGDXZHU-UHFFFAOYSA-N

DeepSMILES:
COcccccc6))ccc=O)cco6)cccc6OC)))OC)))OC

Functional groups:
c=O, cOC, 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: O-methylated flavonoids

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Flavones

NP-Likeness score: 0.775

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Chemical structure download