CHEBI:132086 - BMS-493

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name BMS-493
ChEBI ID CHEBI:132086
Definition A member of the class of dihydronaphthalenes that is 1,2-dihydronaphthalene which is substituted at positions 1, 1, 4, and 6 by methyl, methyl, phenylethynyl, and 2-(p-carboxyphenyl)vinyl groups, respectively (the E isomer).
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C29H24O2
Net Charge 0
Average Mass 404.501
Monoisotopic Mass 404.17763
InChI InChI=1S/C29H24O2/c1-29(2)19-18-24(14-10-21-6-4-3-5-7-21)26-20-23(13-17-27(26)29)9-8-22-11-15-25(16-12-22)28(30)31/h3-9,11-13,15-18,20H,19H2,1-2H3,(H,30,31)/b9-8+
InChIKey YCADIXLLWMXYKW-CMDGGOBGSA-N
SMILES C1=CC(=CC=C1)C#CC=2C3=C(C(CC2)(C)C)C=CC(/C=C/C4=CC=C(C(=O)O)C=C4)=C3
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): retinoic acid receptor antagonist
An antagonist that acts at the retinoic acid receptor.
Application(s): retinoic acid receptor antagonist
An antagonist that acts at the retinoic acid receptor.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing BMS-493 (CHEBI:132086) has role retinoic acid receptor antagonist (CHEBI:90714)
BMS-493 (CHEBI:132086) is a acetylenic compound (CHEBI:73474)
BMS-493 (CHEBI:132086) is a benzoic acids (CHEBI:22723)
BMS-493 (CHEBI:132086) is a dihydronaphthalenes (CHEBI:90740)
BMS-493 (CHEBI:132086) is a stilbenoid (CHEBI:26776)
IUPAC Name
4-{(E)-2-[5,5-dimethyl-8-(phenylethynyl)-5,6-dihydronaphthalen-2-yl]ethenyl}benzoic acid
Synonyms Sources
BMS 493 ChEBI
BMS493 ChEBI
Registry Number Type Source
15383782 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
25725299 PubMed citation Europe PMC
26116234 PubMed citation Europe PMC
26833138 PubMed citation Europe PMC
Last Modified
31 May 2016