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CHEBI:197438 - SR11302

ChEBI IDCHEBI:197438
ChEBI NameSR11302
Stars
DefinitionA 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.
Last Modified13 October 2023
Submitterjonmuyskens
DownloadsMolfile
FormulaC26H32O2
Net Charge0
Average Mass376.540
Monoisotopic Mass376.24023
SMILESCC1=C(/C=C/C(=C/C=C/C(C)=C/C(=O)O)c2ccc(C)cc2)C(C)(C)CCC1
InChIInChI=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-
InChIKeyRQANARBNMTXCDM-DKOHIBGUSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
AP-1 antagonist  An antogonist that interferes with the action of activator protein 1 (AP-1).
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
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 retinoid (CHEBI:26537)
SR11302 (CHEBI:197438) is a toluenes (CHEBI:27024)
SR11302 (CHEBI:197438) is a α,β-unsaturated monocarboxylic acid (CHEBI:79020)
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  Source
(E,E,Z,E)-3-methyl-7-(4-methylphenyl)-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraenoic acidSUBMITTER
SR 11302SUBMITTER
SR-11303ChEBI
(2E,4E,6Z,8E)-3-methyl-7-(p-tolyl)-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenoic acidChEBI
Registry NumbersSources
CAS:160162-42-5SUBMITTER
Citations