CRS

M-CRESOL

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

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Chemical Details

Formal Charge0
Atom Count16
Chiral Atom Count0
Bond Count16
Aromatic Bond Count6
2D diagram of CRS

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Chemical Component Summary

NameM-CRESOL
Systematic Name (OpenEye OEToolkits)3-methylphenol
FormulaC7 H8 O
Molecular Weight108.138
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04Oc1cc(ccc1)C
SMILESCACTVS3.341Cc1cccc(O)c1
SMILESOpenEye OEToolkits1.5.0Cc1cccc(c1)O
Canonical SMILESCACTVS3.341 Cc1cccc(O)c1
Canonical SMILESOpenEye OEToolkits1.5.0 Cc1cccc(c1)O
InChIInChI1.03 InChI=1S/C7H8O/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3
InChIKeyInChI1.03 RLSSMJSEOOYNOY-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License
DrugBank IDDB01776 
NameM-Cresol
Groups experimental
Synonyms
  • meta-Cresol
  • m-Kresol
  • M-Cresol
  • Metacresol
  • m-Cresylic acid
Categories
  • Benzene Derivatives
  • Phenols
CAS number108-39-4

Drug Targets

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License
NameTarget SequencePharmacological ActionActions
InsulinMALWMRLLPLLALLALWGPDPAAAFVNQHLCGSHLVEALYLVCGERGFFY...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
Pharos CHEMBL298312
PubChem 342
ChEMBL CHEMBL298312
ChEBI CHEBI:17231
CCDC/CSD GOVQAJ, KOXDOT, ZIJKAE, ZIJKAE10, CAFVUC, JAZQIN, LAWVIP, FARXOL, MCRSOL, KUCQEG
COD 7228447