Summary

IMPPAT Phytochemical identifier: IMPHY009956

Phytochemical name: Benzofuran

Synonymous chemical names:
benzofuran

External chemical identifiers:
CID:9223, ChEMBL:CHEMBL363614, ChEBI:35260, ZINC:ZINC000001591814, FDASRS:LK6946W774, SureChEMBL:SCHEMBL5564, MolPort-000-145-910

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Chemical structure information

SMILES:
c1ccc2c(c1)occ2

InChI:
InChI=1S/C8H6O/c1-2-4-8-7(3-1)5-6-9-8/h1-6H

InChIKey:
IANQTJSKSUMEQM-UHFFFAOYSA-N

DeepSMILES:
cccccc6)occ5

Functional groups:
coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2occc2c1

Scaffold Graph/Node level:
C1CCC2OCCC2C1

Scaffold Graph level:
C1CCC2CCCC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Benzofurans

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Coumarins

NP Classifier Class: Furocoumarins

NP-Likeness score: 0.392

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Chemical structure download