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CHEBI ONTOLOGY - ANNOTATIONS

The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at http://www.ebi.ac.uk/chebi/. The data is made available under the Creative Commons License (CC BY 3.0, http://creativecommons.org/licenses/by/3.0/). For more information see: Degtyarenko et al. (2008) ChEBI: a database and ontology for chemical entities of biological interest. Nucleic Acids Res. 36, D344–D350.

Term:BMS-453
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Accession:CHEBI:90739 term browser browse the term
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, phenyl, and 2-(p-carboxyphenyl)vinyl groups, respectively (the E isomer). It is a potent retinoic acid receptor gamma (RARbeta) agonist that acts as an antagonist against RARalpha and RARgamma.
Synonyms:exact_synonym: 4-[(E)-2-(5,5-dimethyl-8-phenyl-5,6-dihydronaphthalen-2-yl)vinyl]benzoic acid
 related_synonym: BMS 189453;   BMS189453;   BMS453;   Formula=C27H24O2;   InChI=1S/C27H24O2/c1-27(2)17-16-23(21-6-4-3-5-7-21)24-18-20(12-15-25(24)27)9-8-19-10-13-22(14-11-19)26(28)29/h3-16,18H,17H2,1-2H3,(H,28,29)/b9-8+;   InChIKey=VUODRPPTYLBGFM-CMDGGOBGSA-N;   SMILES=C(=O)(C1=CC=C(C=C1)/C=C/C2=CC3=C(C(CC=C3C4=CC=CC=C4)(C)C)C=C2)O
 xref: CAS:166977-43-1;   PMID:12563696;   PMID:21107276;   PMID:22423954;   PMID:24720764;   PMID:26469117;   PMID:27261179;   Reaxys:24186643


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        aetiopathogenetic role 144
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            BMS-453 0
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  CHEBI ontology 226
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                  main group element atom 219
                    p-block element atom 219
                      carbon group element atom 208
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                          organic molecular entity 207
                            organic group 155
                              organic divalent group 154
                                organodiyl group 154
                                  carbonyl group 154
                                    carbonyl compound 154
                                      carboxylic acid 115
                                        aromatic carboxylic acid 9
                                          benzoic acids 6
                                            BMS-453 0
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