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

Default Structure
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:
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).
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
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