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CHEBI:137470 - optovin

ChEBI IDCHEBI:137470
ChEBI Nameoptovin
Stars
DefinitionA member of the class of thiazolidinone that is rhodanine in which the two methylene hydrogens have been replaced by a 2,5-dimethyl-1-(pyridin-3-yl)-1H-pyrrol-3-yl]methylidene group. A TRPA1 ligand that can be reversibly photoactivated.
Last Modified22 June 2017
SubmitterLRuzicka
DownloadsMolfile
FormulaC15H13N3OS2
Net Charge0
Average Mass315.423
Monoisotopic Mass315.05000
SMILESCc1cc(/C=C2/SC(=S)NC2=O)c(C)n1-c1cccnc1
InChIInChI=1S/C15H13N3OS2/c1-9-6-11(7-13-14(19)17-15(20)21-13)10(2)18(9)12-4-3-5-16-8-12/h3-8H,1-2H3,(H,17,19,20)/b13-7+
InChIKeyYISGMOZSGOGYOU-NTUHNPAUSA-N
Roles Classification
Biological Role:
TRPA1 channel agonist  An agonist at the transient receptor potential cation channel A1 (TRPA1).
ChEBI Ontology
Outgoing Relation(s)
optovin (CHEBI:137470) has functional parent rhodanine (CHEBI:8830)
optovin (CHEBI:137470) has role TRPA1 channel agonist (CHEBI:137514)
optovin (CHEBI:137470) is a olefinic compound (CHEBI:78840)
optovin (CHEBI:137470) is a pyridines (CHEBI:26421)
optovin (CHEBI:137470) is a pyrroles (CHEBI:26455)
optovin (CHEBI:137470) is a thiazolidinone (CHEBI:48891)
IUPAC Name 
5-{[2,5-dimethyl-1-(pyridin-3-yl)-1H-pyrrol-3-yl]methylidene}-2-sulfanylidene-1,3-thiazolidin-4-one
Synonym  Source
5-[[2,5-dimethyl-1-(3-pyridinyl)-1H-pyrrol-3-yl]methylene]-2-thioxo-4-thiazolidinoneSUBMITTER
Registry NumbersSources
CAS:348575-88-2SUBMITTER
Citations