Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID008556

Phytochemical name: 5,8-Dihydroxy-7-methoxyflavone

Synonymous chemical names:
pediflavone, isowogonin, Pediflavone

External chemical identifiers:
CID:CID_20489, ChEMBL:CHEMBL2272376

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Chemical structure information

SMILES:
COc1cc(O)c2c(c1O)oc(cc2=O)c1ccccc1

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

InChIKey:
CGTZOVPQCMHAIE-UHFFFAOYSA-N

DeepSMILES:
COcccO)ccc6O))occc6=O)))cccccc6

Functional groups:
cOC, cO, 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: 1.341

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Chemical structure download