Summary

IMPPAT Phytochemical identifier: IMPHY003017

Phytochemical name: 2,3-Diphenylbenzofuran

Synonymous chemical names:
2,3-diphenylbenzofuran, benzofurans

External chemical identifiers:
CID:253613, ChEMBL:CHEMBL4581433, ZINC:ZINC000001708057, SureChEMBL:SCHEMBL592430

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Chemical structure information

SMILES:
c1ccc(cc1)c1c(oc2c1cccc2)c1ccccc1

InChI:
InChI=1S/C20H14O/c1-3-9-15(10-4-1)19-17-13-7-8-14-18(17)21-20(19)16-11-5-2-6-12-16/h1-14H

InChIKey:
MPNFMCAOBNNFJF-UHFFFAOYSA-N

DeepSMILES:
cccccc6))ccocc5cccc6)))))))cccccc6

Functional groups:
coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc(-c2oc3ccccc3c2-c2ccccc2)cc1

Scaffold Graph/Node level:
C1CCC(C2OC3CCCCC3C2C2CCCCC2)CC1

Scaffold Graph level:
C1CCC(C2CC3CCCCC3C2C2CCCCC2)CC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: 2-arylbenzofuran flavonoids

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP-Likeness score: 0.192

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Chemical structure download