Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID003319

Phytochemical name: 5,7-Dimethoxyflavone

Synonymous chemical names:
Flavone, 5,7-dimethoxy, di-me ether-5, 7-dihydroxyisoflavone

External chemical identifiers:
CID:CID_88881, ChEMBL:CHEMBL275391, ChEBI:CHEBI:3684, ZINC:ZINC000000407231, SureChEMBL:SCHEMBL1676012, MolPort-001-835-896

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Chemical structure information

SMILES:
COc1cc(OC)c2c(c1)oc(cc2=O)c1ccccc1

InChI:
InChI=1S/C17H14O4/c1-19-12-8-15(20-2)17-13(18)10-14(21-16(17)9-12)11-6-4-3-5-7-11/h3-10H,1-2H3

InChIKey:
JRFZSUMZAUHNSL-UHFFFAOYSA-N

DeepSMILES:
COcccOC))ccc6)occc6=O)))cccccc6

Functional groups:
cOC, coc, c=O

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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: 0.66

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Chemical structure download