Summary

IMPPAT Phytochemical identifier: IMPHY004755

Phytochemical name: 5,6,7-Trimethoxyflavone

Synonymous chemical names:
5,6,7-trimethoxyflavone

External chemical identifiers:
CID:442583, ChEMBL:CHEMBL182992, ChEBI:2980, ZINC:ZINC000000058118, SureChEMBL:SCHEMBL971297, MolPort-001-741-265

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Chemical structure information

SMILES:
COc1cc2oc(cc(=O)c2c(c1OC)OC)c1ccccc1

InChI:
InChI=1S/C18H16O5/c1-20-15-10-14-16(18(22-3)17(15)21-2)12(19)9-13(23-14)11-7-5-4-6-8-11/h4-10H,1-3H3

InChIKey:
HJNJAUYFFFOFBW-UHFFFAOYSA-N

DeepSMILES:
COcccoccc=O)c6cc%10OC)))OC))))))cccccc6

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: 0.848

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Chemical structure download