Summary

IMPPAT Phytochemical identifier: IMPHY005530

Phytochemical name: Wogonin

Synonymous chemical names:
flavone, 5,7-dihydroxy-8-methoxy, wogonin, wogonins

External chemical identifiers:
CID:5281703, ChEMBL:CHEMBL16171, ChEBI:10043, ZINC:ZINC000000899093, FDASRS:POK93PO28W, SureChEMBL:SCHEMBL139083, MolPort-001-742-489

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Chemical structure information

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

InChI:
InChI=1S/C16H12O5/c1-20-15-12(19)7-10(17)14-11(18)8-13(21-16(14)15)9-5-3-2-4-6-9/h2-8,17,19H,1H3

InChIKey:
XLTFNNCXVBYBSX-UHFFFAOYSA-N

DeepSMILES:
COccO)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: 1.401

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Chemical structure download