Chemical Component Summary

NameGuaiacol
Synonyms2-methoxyphenol
Identifiers2-methoxyphenol
FormulaC7 H8 O2
Molecular Weight124.137
TypeNON-POLYMER
Isomeric SMILESCOc1ccccc1O
InChIInChI=1S/C7H8O2/c1-9-7-5-3-2-4-6(7)8/h2-5,8H,1H3
InChIKeyLHGVFZTZFXWLCP-UHFFFAOYSA-N

Chemical Details

Formal Charge0
Atom Count17
Chiral Atom Count0
Bond Count17
Aromatic Bond Count6

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
  • Guaiacol hydrochloride
  • 2-methoxyl-4-vinylphenol
  • o-Methoxyphenol
  • o-hydroxyanisole
Brand Names
  • Analgesic Balm
  • Jamp-suppositories Children
  • Pastilles Valda
  • Jamp-cough Suppositories Adult
  • Demo-cineol Adultes/adults
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