Summary

IMPPAT Phytochemical identifier: IMPHY008691

Phytochemical name: 7-Hydroxy-4-benzopyrone

Synonymous chemical names:
7-hydroxy-chromone

External chemical identifiers:
CID:5409279, ChEMBL:CHEMBL58827, ZINC:ZINC000006093697, SureChEMBL:SCHEMBL546240, MolPort-005-981-097

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Chemical structure information

SMILES:
Oc1ccc2c(c1)occc2=O

InChI:
InChI=1S/C9H6O3/c10-6-1-2-7-8(11)3-4-12-9(7)5-6/h1-5,10H

InChIKey:
WVJCRTSTRGRJJT-UHFFFAOYSA-N

DeepSMILES:
Occcccc6)occc6=O

Functional groups:
c=O, cO, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1ccoc2ccccc12

Scaffold Graph/Node level:
OC1CCOC2CCCCC12

Scaffold Graph level:
CC1CCCC2CCCCC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Benzopyrans

ClassyFire Subclass: 1-benzopyrans

NP Classifier Biosynthetic pathway: Polyketides

NP Classifier Superclass: Chromanes

NP Classifier Class: Chromones

NP-Likeness score: 1.113

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Chemical structure download