Summary

IMPPAT Phytochemical identifier: IMPHY012023

Phytochemical name: Dibenzofuran

Synonymous chemical names:
dibenzofuran

External chemical identifiers:
CID:568, ChEMBL:CHEMBL277497, ChEBI:28145, ZINC:ZINC000003861058, FDASRS:8U54U639VI, SureChEMBL:SCHEMBL8207, MolPort-001-768-876

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Chemical structure information

SMILES:
c1ccc2c(c1)oc1c2cccc1

InChI:
InChI=1S/C12H8O/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-8H

InChIKey:
TXCDCPKCNAJMEE-UHFFFAOYSA-N

DeepSMILES:
cccccc6)occ5cccc6

Functional groups:
coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2c(c1)oc1ccccc12

Scaffold Graph/Node level:
C1CCC2C(C1)OC1CCCCC12

Scaffold Graph level:
C1CCC2C(C1)CC1CCCCC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Benzofurans

ClassyFire Subclass: Dibenzofurans

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Coumarins

NP Classifier Class: Simple coumarins

NP-Likeness score: -0.059

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Chemical structure download