EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:65786 - 4,4'-dihydroxybenzyl sulfone

ChEBI IDCHEBI:65786
ChEBI Name4,4'-dihydroxybenzyl sulfone
Stars
DefinitionA sulfone compound having two S-4-hydroxybenzyl substituents. Isolated from the tuber of Gastrodia elata, it exhibits inhibitory effect on platelet aggregation.
Last Modified11 January 2013
DownloadsMolfile
FormulaC14H14O4S
Net Charge0
Average Mass278.329
Monoisotopic Mass278.06128
SMILESO=S(=O)(Cc1ccc(O)cc1)Cc1ccc(O)cc1
InChIInChI=1S/C14H14O4S/c15-13-5-1-11(2-6-13)9-19(17,18)10-12-3-7-14(16)8-4-12/h1-8,15-16H,9-10H2
InChIKeyJFHSUEXVHAPNCF-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Gastrodia elata (ncbitaxon:91201) tuber (BTO:0001400) PubMed (15180301)
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
Application:
platelet aggregation inhibitor  A drug or agent which antagonizes or impairs any mechanism leading to blood platelet aggregation, whether during the phases of activation and shape change or following the dense-granule release reaction and stimulation of the prostaglandin-thromboxane system.
ChEBI Ontology
Outgoing Relation(s)
4,4'-dihydroxybenzyl sulfone (CHEBI:65786) has role metabolite (CHEBI:25212)
4,4'-dihydroxybenzyl sulfone (CHEBI:65786) has role platelet aggregation inhibitor (CHEBI:50427)
4,4'-dihydroxybenzyl sulfone (CHEBI:65786) is a phenols (CHEBI:33853)
4,4'-dihydroxybenzyl sulfone (CHEBI:65786) is a sulfone (CHEBI:35850)
IUPAC Name 
4,4'-(sulfonyldimethanediyl)diphenol
Citations