Summary

IMPPAT Phytochemical identifier: IMPHY001212

Phytochemical name: Chromone

Synonymous chemical names:
chromen-4-one, chromone

External chemical identifiers:
CID:10286, ChEMBL:CHEMBL13311, ChEBI:72013, ZINC:ZINC000000057736, FDASRS:20C556MJ76, SureChEMBL:SCHEMBL37994, MolPort-001-738-536

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Chemical structure information

SMILES:
O=c1ccoc2c1cccc2

InChI:
InChI=1S/C9H6O2/c10-8-5-6-11-9-4-2-1-3-7(8)9/h1-6H

InChIKey:
OTAFHZMPRISVEM-UHFFFAOYSA-N

DeepSMILES:
O=cccocc6cccc6

Functional groups:
c=O, 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: 0.394

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Chemical structure download