Summary

IMPPAT Phytochemical identifier: IMPHY005338

Phytochemical name: 5-Hydroxy-7,8-dimethoxyflavone

Synonymous chemical names:
5-hydroxy-7,8-dimethoxyflavone, 7-o-methylwogonin, flavone, 5-hydroxy-7,8-dimethoxy

External chemical identifiers:
CID:188316, ChEMBL:CHEMBL2235239, ZINC:ZINC000005998918, SureChEMBL:SCHEMBL6070206, MolPort-001-741-309

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Chemical structure information

SMILES:
COc1c(OC)cc(c2c1oc(cc2=O)c1ccccc1)O

InChI:
InChI=1S/C17H14O5/c1-20-14-9-12(19)15-11(18)8-13(10-6-4-3-5-7-10)22-17(15)16(14)21-2/h3-9,19H,1-2H3

InChIKey:
IHLSBQVBFDTNTC-UHFFFAOYSA-N

DeepSMILES:
COccOC))cccc6occc6=O)))cccccc6))))))))))O

Functional groups:
c=O, cO, 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: 1.164

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Chemical structure download