Summary

IMPPAT Phytochemical identifier: IMPHY015498

Phytochemical name: Bicyclo[4.2.0]octa-1,3,5-triene

Synonymous chemical names:
benzocyclobutane, bicyclo[4.2.0]octa-l,3,5-triene

External chemical identifiers:
CID:69667, ChEBI:87328, ZINC:ZINC000001845807, SureChEMBL:SCHEMBL33555, MolPort-003-662-197

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Chemical structure information

SMILES:
c1ccc2c(c1)CC2

InChI:
InChI=1S/C8H8/c1-2-4-8-6-5-7(8)3-1/h1-4H,5-6H2

InChIKey:
UMIVXZPTRXBADB-UHFFFAOYSA-N

DeepSMILES:
cccccc6)CC4

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2c(c1)CC2

Scaffold Graph/Node level:
C1CCC2CCC2C1

Scaffold Graph level:
C1CCC2CCC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP-Likeness score: -0.172

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Chemical structure download