Summary

IMPPAT Phytochemical identifier: IMPHY004344

Phytochemical name: Pratol

Synonymous chemical names:
7-hydroxy-4'-methoxyflavone

External chemical identifiers:
CID:5320693, ChEMBL:CHEMBL16751, ZINC:ZINC000005733557, FDASRS:KU5R959MO7, SureChEMBL:SCHEMBL534596, MolPort-002-903-705

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Chemical structure information

SMILES:
COc1ccc(cc1)c1cc(=O)c2c(o1)cc(cc2)O

InChI:
InChI=1S/C16H12O4/c1-19-12-5-2-10(3-6-12)15-9-14(18)13-7-4-11(17)8-16(13)20-15/h2-9,17H,1H3

InChIKey:
SQVXWIUVAILQRH-UHFFFAOYSA-N

DeepSMILES:
COcccccc6))ccc=O)cco6)cccc6))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: 0.684

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Chemical structure download