CXL

CYCLOHEXANOL

Created: 1999-07-08
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count19
Chiral Atom Count0
Bond Count19
Aromatic Bond Count0
2D diagram of CXL
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Chemical Component Summary

NameCYCLOHEXANOL
Systematic Name (OpenEye OEToolkits)cyclohexanol
FormulaC6 H12 O
Molecular Weight100.159
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04OC1CCCCC1
SMILESCACTVS3.341OC1CCCCC1
SMILESOpenEye OEToolkits1.5.0C1CCC(CC1)O
Canonical SMILESCACTVS3.341 OC1CCCCC1
Canonical SMILESOpenEye OEToolkits1.5.0 C1CCC(CC1)O
InChIInChI1.03 InChI=1S/C6H12O/c7-6-4-2-1-3-5-6/h6-7H,1-5H2
InChIKeyInChI1.03 HPXRVTGHNJAIIH-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank IDDB03703 
NameCyclohexanol
Groups experimental
DescriptionMonohydroxy derivatives of cyclohexanes that contain the general formula R-C6H11O. They have a camphorlike odor and are used in making soaps, insecticides, germicides, dry cleaning, and plasticizers. [PubChem]
SynonymsCyclohexanol
Categories
  • Alcohols
  • Cyclohexanes
  • Cycloparaffins
  • Fatty Alcohols
  • Hexanols
CAS number108-93-0

Drug Targets

NameTarget SequencePharmacological ActionActions
Alcohol dehydrogenase 1BMSTAGKVIKCKAAVLWEVKKPFSIEDVEVAPPKAYEVRIKMVAVGICRTD...unknown
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource NameReference
PubChem 7966
ChEMBL CHEMBL32010
ChEBI CHEBI:18099
CCDC/CSD UPUWEI, NOZGUH, QAVBUL, PUPLOC, IFAHUS, OSAWIP, JOTXAU, SEHYIQ, GANBUS, KAWMUU
COD 2104220