CHEBI:137470 - optovin

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name optovin
ChEBI ID CHEBI:137470
Definition A member of the class of thiazolidinone that is rhodanine in which the two methylene hydrogens have been replaced by a 2,5-dimethyl-1-(pyridin-3-yl)-1H-pyrrol-3-yl]methylidene group.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.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Leyla Ruzicka
Supplier Information
Download Molfile XML SDF
Formula C15H13N3OS2
Net Charge 0
Average Mass 315.416
Monoisotopic Mass 315.05000
InChI InChI=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+
InChIKey YISGMOZSGOGYOU-NTUHNPAUSA-N
SMILES N1C(S\C(\C1=O)=C\C2=C(N(C(=C2)C)C3=CN=CC=C3)C)=S
Roles Classification
Biological Role(s): TRPA1 channel agonist
An agonist at the transient receptor potential cation channel A1 (TRPA1).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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-thiazolidinone SUBMITTER
Registry Number Type Source
348575-88-2 CAS Registry Number SUBMITTER
Citations Waiting for Citations Types Sources
23396078 PubMed citation SUBMITTER
28424320 PubMed citation Europe PMC
Last Modified
22 June 2017