Summary

IMPPAT Phytochemical identifier: IMPHY004966

Phytochemical name: 4'-Hydroxywogonin

Synonymous chemical names:
5,7,2'-trihydroxy-8-methoxyflavone, flavone, 5,7,4'-trihydroxy-8-methoxy

External chemical identifiers:
CID:5322078, ChEMBL:CHEMBL245712, ZINC:ZINC000005998555, SureChEMBL:SCHEMBL738981, MolPort-035-705-972

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Chemical structure information

SMILES:
COc1c(O)cc(c2c1oc(cc2=O)c1ccc(cc1)O)O

InChI:
InChI=1S/C16H12O6/c1-21-15-12(20)6-10(18)14-11(19)7-13(22-16(14)15)8-2-4-9(17)5-3-8/h2-7,17-18,20H,1H3

InChIKey:
OEZZJTAJYYSQKM-UHFFFAOYSA-N

DeepSMILES:
COccO)cccc6occc6=O)))cccccc6))O)))))))))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: 1.567

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Chemical structure download