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CHEBI:65500 - bis-(4-hydroxybenzyl)sulfide

ChEBI IDCHEBI:65500
ChEBI Namebis-(4-hydroxybenzyl)sulfide
Stars
DefinitionAn organic sulfide that consists of two 4-hydroxybenzyl groups covalently bound to a central sulfur atom. It is isolated from Gastrodia elata and Pleuropterus ciliinervis and exhibits neoroprotective activity.
Last Modified22 February 2013
DownloadsMolfile
FormulaC14H14O2S
Net Charge0
Average Mass246.331
Monoisotopic Mass246.07145
SMILESOc1ccc(CSCc2ccc(O)cc2)cc1
InChIInChI=1S/C14H14O2S/c15-13-5-1-11(2-6-13)9-17-10-12-3-7-14(16)8-4-12/h1-8,15-16H,9-10H2
InChIKeyOEISQDWSEZCYNH-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Gastrodia elata (ncbitaxon:91201) - PubMed (17381154)
Pleuropterus ciliinervis (IPNI:695248-1) root (BTO:0001188) PubMed (17851433)
Roles Classification
Biological Roles:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
EC 3.5.1.98 (histone deacetylase) inhibitor  An EC 3.5.1.* (non-peptide linear amide C-N hydrolase) inhibitor that interferes with the function of histone deacetylase (EC 3.5.1.98).
Application:
neuroprotective agent  Any compound that can be used for the treatment of neurodegenerative disorders.
ChEBI Ontology
Outgoing Relation(s)
bis-(4-hydroxybenzyl)sulfide (CHEBI:65500) has role EC 3.5.1.98 (histone deacetylase) inhibitor (CHEBI:61115)
bis-(4-hydroxybenzyl)sulfide (CHEBI:65500) has role metabolite (CHEBI:25212)
bis-(4-hydroxybenzyl)sulfide (CHEBI:65500) has role neuroprotective agent (CHEBI:63726)
bis-(4-hydroxybenzyl)sulfide (CHEBI:65500) is a organic sulfide (CHEBI:16385)
bis-(4-hydroxybenzyl)sulfide (CHEBI:65500) is a polyphenol (CHEBI:26195)
IUPAC Name 
4,4'-(sulfanediyldimethanediyl)diphenol
Registry NumbersSources
Reaxys:2459138Reaxys
Citations