JZ3

Guaiacol

Created: 2009-06-16
Last modified:  2020-06-05

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Chemical Details

Formal Charge0
Atom Count17
Chiral Atom Count0
Bond Count17
Aromatic Bond Count6
2D diagram of JZ3

Chemical Component Summary

NameGuaiacol
Synonyms2-methoxyphenol
Systematic Name (OpenEye OEToolkits)2-methoxyphenol
FormulaC7 H8 O2
Molecular Weight124.137
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs12.01Oc1ccccc1OC
SMILESCACTVS3.370COc1ccccc1O
SMILESOpenEye OEToolkits1.7.6COc1ccccc1O
Canonical SMILESCACTVS3.370 COc1ccccc1O
Canonical SMILESOpenEye OEToolkits1.7.6 COc1ccccc1O
InChIInChI1.03 InChI=1S/C7H8O2/c1-9-7-5-3-2-4-6(7)8/h2-5,8H,1H3
InChIKeyInChI1.03 LHGVFZTZFXWLCP-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank IDDB11359 
NameGuaiacol
Groups approved
DescriptionGuaiacol is an agent thought to have disinfectant properties and used as an expectorant. Guaiacol is a phenolic natural product first isolated from Guaiac resin and the oxidation of lignin. Guaiacol is also present in wood smoke, as a product of pyrolysis of lignin. Guaiacol has been found in the urine of patients with neuroblastoma and pheochromocytoma.
Synonyms
  • 1-hydroxy-2-methoxybenzene
  • Pyroguaiac acid
  • o-hydroxyanisole
  • Guaiacol carbonate
  • o-Methoxyphenol
Brand Names
  • Pastilles Valda
  • Valda Pastilles
  • Demo Cineol Inj
  • Demo-cineol Adultes/adults
  • Jamp-cough Suppositories Adult
IndicationIt is used medicinally as an expectorant, antiseptic, and local anesthetic. Guaiacol is used in traditional dental pulp sedation, and has the property of inducing cell proliferation; guaiacol is a potent scavenger of reactive oxygen radicals and its radical scavenging activity may be associated with its effect on cell proliferation.
Categories
  • Benzene Derivatives
  • Catechols
  • Ethers
  • Expectorants
  • Methyl Ethers
CAS number90-05-1

Drug Targets

NameTarget SequencePharmacological ActionActions
Serum albuminMKWVTFISLLFLFSSAYSRGVFRRDAHKSEVAHRFKDLGEENFKALVLIA...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 460
ChEMBL CHEMBL13766
ChEBI CHEBI:28591
CCDC/CSD GIHBOQ, PUYKOJ, YOVTUY