Summary

IMPPAT Phytochemical identifier: IMPHY001090

Phytochemical name: Prudomestin

Synonymous chemical names:
5,7-dihydroxy-8,4'-dimethoxyflavonol, prudomestin

External chemical identifiers:
CID:10404353, ChEMBL:CHEMBL478812, ChEBI:174447, ZINC:ZINC000014779724, MolPort-035-705-978

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Chemical structure information

SMILES:
COc1ccc(cc1)c1oc2c(OC)c(O)cc(c2c(=O)c1O)O

InChI:
InChI=1S/C17H14O7/c1-22-9-5-3-8(4-6-9)15-14(21)13(20)12-10(18)7-11(19)16(23-2)17(12)24-15/h3-7,18-19,21H,1-2H3

InChIKey:
HLSIOUXODPWHFI-UHFFFAOYSA-N

DeepSMILES:
COcccccc6))coccOC))cO)ccc6c=O)c%10O))))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: Flavones

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Flavonols

NP-Likeness score: 1.456

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Chemical structure download