CHEBI:5325 - gentisyl alcohol

ChEBI IDCHEBI:5325
ChEBI Namegentisyl alcohol
Stars
DefinitionAn aromatic primary alcohol that is benzyl alcohol substituted by hydroxy groups at positions 2 and 5.
Last Modified15 October 2019
DownloadsMolfile
FormulaC7H8O3
Net Charge0
Average Mass140.138
Monoisotopic Mass140.04734
SMILESOCc1cc(O)ccc1O
InChIInChI=1S/C7H8O3/c8-4-5-3-6(9)1-2-7(5)10/h1-3,8-10H,4H2
InChIKeyPUZSUVGRVHEUQO-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Aspergillus parasiticus (ncbitaxon:5067) - DOI (/10.1021/np010450k)
Penicillium roqueforti (ncbitaxon:5082) - Article (Book: John W. Blunt, Murray H. G. Munro. Dictionary of Marine Natural Products with CD-ROM, D-597.)
Penicillium novae-zeelandiae (ncbitaxon:434487) - PubMed (12948827)
Phyllosticta sp. (ncbitaxon:1886407) cell suspension culture (BTO:0000221) DOI (/10.1271/bbb1961.35.1810)
Arthrinium sp. (ncbitaxon:1756131) - PubMed (31163640)
Phoma herbarum (ncbitaxon:73001) - PubMed (27288000)
Roles Classification
Chemical Role:
antioxidant  A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides.
Biological Roles:
fungal metabolite  Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds.
apoptosis inhibitor  Any substance that inhibits the process of apoptosis (programmed cell death) in multi-celled organisms.
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
gentisyl alcohol (CHEBI:5325) has functional parent benzyl alcohol (CHEBI:17987)
gentisyl alcohol (CHEBI:5325) has functional parent hydroquinone (CHEBI:17594)
gentisyl alcohol (CHEBI:5325) has role antineoplastic agent (CHEBI:35610)
gentisyl alcohol (CHEBI:5325) has role antioxidant (CHEBI:22586)
gentisyl alcohol (CHEBI:5325) has role apoptosis inhibitor (CHEBI:68494)
gentisyl alcohol (CHEBI:5325) has role fungal metabolite (CHEBI:76946)
gentisyl alcohol (CHEBI:5325) is a aromatic primary alcohol (CHEBI:33857)
gentisyl alcohol (CHEBI:5325) is a phenols (CHEBI:33853)
IUPAC Name 
2-(hydroxymethyl)benzene-1,4-diol
Synonyms  Source
3,6-dihydroxybenzyl alcoholChemIDplus
2,5-dihydroxybenzyl alcoholKEGG COMPOUND
2-(hydroxymethyl)-1,4-benzenediolChemIDplus
salirepolChEBI
gentisin alcoholChEBI
UniProt Name  Source
gentisyl alcoholUniProt
Manual XrefsDatabases
C10792KEGG COMPOUND
C00002649KNApSAcK
CPD-16721MetaCyc
Registry NumbersSources
CAS:495-08-9KEGG COMPOUND
CAS:495-08-9ChemIDplus
Citations