Summary

IMPPAT Phytochemical identifier: IMPHY002836

Phytochemical name: 6-Methoxyflavone

Synonymous chemical names:
6-methoxy-flavones, 6-methoxyflavone

External chemical identifiers:
CID:147157, ChEMBL:CHEMBL137586, ZINC:ZINC000000057751, FDASRS:QAX7R06N2Q, SureChEMBL:SCHEMBL312059, MolPort-000-676-258

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Chemical structure information

SMILES:
COc1ccc2c(c1)c(=O)cc(o2)c1ccccc1

InChI:
InChI=1S/C16H12O3/c1-18-12-7-8-15-13(9-12)14(17)10-16(19-15)11-5-3-2-4-6-11/h2-10H,1H3

InChIKey:
XZQLSABETMKIGG-UHFFFAOYSA-N

DeepSMILES:
COcccccc6)c=O)cco6)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: 0.218

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Chemical structure download