Summary

IMPPAT Phytochemical identifier: IMPHY016586

Phytochemical name: Cycloheptane

Synonymous chemical names:
cycloheptane

External chemical identifiers:
CID:9265, ChEMBL:CHEMBL453194, ZINC:ZINC000044307996, FDASRS:VTZ53P34JA, SureChEMBL:SCHEMBL8198

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Chemical structure information

SMILES:
C1CCCCCC1

InChI:
InChI=1S/C7H14/c1-2-4-6-7-5-3-1/h1-7H2

InChIKey:
DMEGYFMYUHOHGS-UHFFFAOYSA-N

DeepSMILES:
CCCCCCC7

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCCCCC1

Scaffold Graph/Node level:
C1CCCCCC1

Scaffold Graph level:
C1CCCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Hydrocarbons

ClassyFire Class: Saturated hydrocarbons

ClassyFire Subclass: Cycloalkanes

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty esters

NP Classifier Class: Lactones

NP-Likeness score: -0.034

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Chemical structure download