Summary

IMPPAT Phytochemical identifier: IMPHY005435

Phytochemical name: Genkwanin

Synonymous chemical names:
4'5-dihydroxy-7-methoxyflavone, flavone 5,4'-dihydroxy-7-methoxy, flavone, 5,4' -dihydroxy-7-methoxy, flavone, 5,4'-dihydroxy-7-methoxy, flavone,4,5-dihydroxy-7-methoxy, gengkwanin, genkwanin, puddumetin

External chemical identifiers:
CID:5281617, ChEMBL:CHEMBL210635, ChEBI:75718, ZINC:ZINC000005732375, FDASRS:5K3I5D6B2B, SureChEMBL:SCHEMBL866123, MolPort-003-665-822

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Chemical structure information

SMILES:
COc1cc(O)c2c(c1)oc(cc2=O)c1ccc(cc1)O

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

InChIKey:
JPMYFOBNRRGFNO-UHFFFAOYSA-N

DeepSMILES:
COcccO)ccc6)occc6=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: 1.145

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Chemical structure download