CHEBI:197438 - SR11302

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ChEBI Name SR11302 ChEBI ID CHEBI:197438 Definition A retinoid that is all-trans-retinoic acid in which the methyl group at position 9 is replaced by a 4-methylphenyl group. It is an inhibitor of activator protein-1 which exhibits antitumour effects in vivo. Stars This entity has been manually annotated by the ChEBI Team. Submitter Jonathan Muyskens Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C26H32O2 Net Charge 0 Average Mass 376.540 Monoisotopic Mass 376.24023 InChI InChI=1S/C26H32O2/c1-19-11-13-23(14-12-19)22(10-6-8-20(2)18-25(27)28)15-16-24-21(3)9-7-17-26(24,4)5/h6,8,10-16,18H,7,9,17H2,1-5H3,(H,27,28)/b8-6+,16-15+,20-18+,22-10- InChIKey RQANARBNMTXCDM-DKOHIBGUSA-N SMILES C\C(\C=C\C=C(\C=C\C1=C(C)CCCC1(C)C)/C1=CC=C(C)C=C1)=C/C(O)=O 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): AP-1 antagonist An antogonist that interferes with the action of activator protein 1 (AP-1). Application(s): antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. View more via ChEBI Ontology ChEBI Ontology Outgoing SR11302 (CHEBI:197438) has functional parent all-trans-retinoic acid (CHEBI:15367) SR11302 (CHEBI:197438) has role antineoplastic agent (CHEBI:35610) SR11302 (CHEBI:197438) has role AP-1 antagonist (CHEBI:67199) SR11302 (CHEBI:197438) is a α,β-unsaturated monocarboxylic acid (CHEBI:79020) SR11302 (CHEBI:197438) is a retinoid (CHEBI:26537) SR11302 (CHEBI:197438) is a toluenes (CHEBI:27024) IUPAC Name (2E,4E,6Z,8E)-3-methyl-7-(4-methylphenyl)-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenoic acid Synonyms Sources (2E,4E,6Z,8E)-3-methyl-7-(p-tolyl)-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenoic acid ChEBI (E,E,Z,E)-3-methyl-7-(4-methylphenyl)-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraenoic acid SUBMITTER SR 11302 SUBMITTER SR-11303 ChEBI Registry Number Type Source 160162-42-5 CAS Registry Number SUBMITTER Citations Types Sources 21515313 PubMed citation Europe PMC 23760290 PubMed citation Europe PMC 24587316 PubMed citation Europe PMC 24831826 PubMed citation Europe PMC 25001622 PubMed citation Europe PMC 26908177 PubMed citation Europe PMC 27490694 PubMed citation Europe PMC 29177791 PubMed citation Europe PMC 31392841 PubMed citation Europe PMC 33119185 PubMed citation Europe PMC 33794365 PubMed citation Europe PMC 35559742 PubMed citation Europe PMC 35966011 PubMed citation Europe PMC 36035373 PubMed citation Europe PMC 36670963 PubMed citation Europe PMC 36898276 PubMed citation Europe PMC 37707834 PubMed citation Europe PMC 9159159 PubMed citation Europe PMC Last Modified 13 October 2023