Summary

IMPPAT Phytochemical identifier: IMPHY016531

Phytochemical name: Bicyclo[10.1.0]tridec-1-ene

Synonymous chemical names:
bicyclo[10,1,0]tridec-1-ene

External chemical identifiers:
CID:548879

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Chemical structure information

SMILES:
C1CCCCC=C2C(CCCC1)C2

InChI:
InChI=1S/C13H22/c1-2-4-6-8-10-13-11-12(13)9-7-5-3-1/h9,13H,1-8,10-11H2

InChIKey:
HBCJKSFKKMFQIA-UHFFFAOYSA-N

DeepSMILES:
CCCCCC=CCCCCC%12))))C3

Functional groups:
CC=C1CC1

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=C2CC2CCCCCCCCC1

Scaffold Graph/Node level:
C1CCCCCC2CC2CCCC1

Scaffold Graph level:
C1CCCCCC2CC2CCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Hydrocarbons

ClassyFire Class: Polycyclic hydrocarbons

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty esters

NP Classifier Class: Lactones

NP-Likeness score: 0.786

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Chemical structure download