guaiacol (CHEBI:28591)

ChEBI > Main

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name	guaiacol

ChEBI ID	CHEBI:28591

Definition	A monomethoxybenzene that consists of phenol with a methoxy substituent at the ortho position.

Stars	This entity has been manually annotated by the ChEBI Team.

Secondary ChEBI IDs	CHEBI:5549, CHEBI:24434

Supplier Information

Download	Molfile XML SDF

Wikipedia	License

Read full article at Wikipedia

Formula

C7H8O2

Net Charge

Average Mass

124.13722

Monoisotopic Mass

124.05243

InChI

InChI=1S/C7H8O2/c1-9-7-5-3-2-4-6(7)8/h2-5,8H,1H3

InChIKey

LHGVFZTZFXWLCP-UHFFFAOYSA-N

SMILES

COc1ccccc1O

Roles Classification
Biological Role(s):	EC 1.1.1.25 (shikimate dehydrogenase) inhibitor An EC 1.1.1.* (oxidoreductase acting on donor CH-OH group, NAD+ or NADP+ acceptor) inhibitor that interferes with the action of shikimate dehydrogenase (EC 1.1.1.25). plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. disinfectant An antimicrobial agent that is applied to non-living objects to destroy harmful microorganisms or to inhibit their activity.

Application(s):	expectorant Compounds that are considered to increase the volume of secretions in the respiratory tract, so facilitating their removal by ciliary action and coughing. Compare with mucolytics, which decrease the viscosity of mucus, facilitating its removal by ciliary action and expectoration, and antitussives, which suppress the cough reflex.

ChEBI Ontology
Outgoing	guaiacol (CHEBI:28591) has functional parent catechol (CHEBI:18135) guaiacol (CHEBI:28591) has role disinfectant (CHEBI:48219) guaiacol (CHEBI:28591) has role EC 1.1.1.25 (shikimate dehydrogenase) inhibitor (CHEBI:77484) guaiacol (CHEBI:28591) has role expectorant (CHEBI:77035) guaiacol (CHEBI:28591) has role plant metabolite (CHEBI:76924) guaiacol (CHEBI:28591) is a guaiacols (CHEBI:134251)

Incoming	4-hydroxy-3-methoxybenzene-1-sulfonic acid (CHEBI:85537) has functional parent guaiacol (CHEBI:28591) 9,9,9-trimethylisoeugenol (CHEBI:59100) has functional parent guaiacol (CHEBI:28591) eugenol (CHEBI:4917) has functional parent guaiacol (CHEBI:28591) guaiacylglycerol-β-guaiacyl ether (CHEBI:53650) has functional parent guaiacol (CHEBI:28591) isoeugenol (CHEBI:18224) has functional parent guaiacol (CHEBI:28591)

IUPAC Name

2-methoxyphenol

Last Modified

23 August 2018