Summary

IMPPAT Phytochemical identifier: IMPHY002526

Phytochemical name: 3-Methoxyflavone

Synonymous chemical names:
3-methoxyflavone, 3-methoxyflavones

External chemical identifiers:
CID:146013, ChEMBL:CHEMBL144625, ZINC:ZINC000000162726, FDASRS:V3ZW15O8B6, SureChEMBL:SCHEMBL253523, MolPort-000-705-303

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Chemical structure information

SMILES:
COc1c(oc2c(c1=O)cccc2)c1ccccc1

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

InChIKey:
ZAIANDVQAMEDFL-UHFFFAOYSA-N

DeepSMILES:
COccoccc6=O))cccc6)))))))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: Flavonols

NP-Likeness score: 0.446

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Chemical structure download