Summary

IMPPAT Phytochemical identifier: IMPHY016534

Phytochemical name: Bicyclo[7.2.0]undec-4-ene

Synonymous chemical names:
bicyclo[7.2.0]undec-4-ene

External chemical identifiers:
CID:129848326, SureChEMBL:SCHEMBL2831616

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Chemical structure information

SMILES:
C1=CCCC2C(CCC1)CC2

InChI:
InChI=1S/C11H18/c1-2-4-6-10-8-9-11(10)7-5-3-1/h1-2,10-11H,3-9H2/b2-1-

InChIKey:
DTHZPEJKTHPMPF-UPHRSURJSA-N

DeepSMILES:
C=CCCCCCCC/9)))CC4

Functional groups:
C/C=CC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CCCC2CCC2CCC1

Scaffold Graph/Node level:
C1CCCC2CCC2CCC1

Scaffold Graph level:
C1CCCC2CCC2CCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Hydrocarbons

ClassyFire Class: Polycyclic hydrocarbons

NP Classifier Biosynthetic pathway: Fatty acids

NP-Likeness score: 0.987

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Chemical structure download