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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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  CHEBI ontology 21569
    role 21548
      biological role 21546
        aetiopathogenetic role 20625
          teratogenic agent 16447
            BMS-453 0
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  CHEBI ontology 21569
    subatomic particle 21555
      composite particle 21555
        hadron 21555
          baryon 21555
            nucleon 21555
              atomic nucleus 21555
                atom 21555
                  main group element atom 21461
                    p-block element atom 21461
                      carbon group element atom 21254
                        carbon atom 21151
                          organic molecular entity 21151
                            organic group 19587
                              organic divalent group 19577
                                organodiyl group 19577
                                  carbonyl group 19558
                                    carbonyl compound 19558
                                      carboxylic acid 19129
                                        aromatic carboxylic acid 11083
                                          benzoic acids 11053
                                            BMS-453 0
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