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

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ChEBI Name	bis-(4-hydroxybenzyl)sulfide

ChEBI ID	CHEBI:65500

Definition	An 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.

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

Supplier Information

Download	Molfile XML SDF

Formula

C14H14O2S

Net Charge

Average Mass

246.32500

Monoisotopic Mass

246.07145

InChI

InChI=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

InChIKey

OEISQDWSEZCYNH-UHFFFAOYSA-N

SMILES

Oc1ccc(CSCc2ccc(O)cc2)cc1

Metabolite of Species	Details
Pleuropterus ciliinervis (IPNI:695248-1)	Found in root (BTO:0001188). See: PubMed
Gastrodia elata (NCBI:txid91201)	See: PubMed

Roles Classification
Biological Role(s):	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(s):	neuroprotective agent Any compound that can be used for the treatment of neurodegenerative disorders.

ChEBI Ontology
Outgoing	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 Number	Type	Source
2459138	Reaxys Registry Number	Reaxys

Last Modified

22 February 2013