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CHEBI:143126 - (2E)-2-benzylidene-3-(cyclohexylamino)indan-1-one

ChEBI IDCHEBI:143126
ChEBI Name(2E)-2-benzylidene-3-(cyclohexylamino)indan-1-one
Stars
ASCII Name(2E)-2-benzylidene-3-(cyclohexylamino)indan-1-one
DefinitionA 2-benzylidene-3-(cyclohexylamino)indan-1-one in which the double bond has E configuration. An inhibitor of the dual specificity phosphatase 6 (Dusp6).
Last Modified28 November 2019
SubmitterCeri
DownloadsMolfile
FormulaC22H23NO
Net Charge0
Average Mass317.432
Monoisotopic Mass317.17796
SMILESO=C1/C(=C/c2ccccc2)C(NC2CCCCC2)c2ccccc21
InChIInChI=1S/C22H23NO/c24-22-19-14-8-7-13-18(19)21(23-17-11-5-2-6-12-17)20(22)15-16-9-3-1-4-10-16/h1,3-4,7-10,13-15,17,21,23H,2,5-6,11-12H2/b20-15+
InChIKeyXJDKPLZUXCIMIS-HMMYKYKNSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:
apoptosis inducer  Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms.
EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor  Any EC 3.1.3.* (phosphoric monoester hydrolase) inhibitor that interferes with the action of phosphoprotein phosphatase (EC 3.1.3.16).
ChEBI Ontology
Outgoing Relation(s)
(2E)-2-benzylidene-3-(cyclohexylamino)indan-1-one (CHEBI:143126) has role apoptosis inducer (CHEBI:68495)
(2E)-2-benzylidene-3-(cyclohexylamino)indan-1-one (CHEBI:143126) has role EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor (CHEBI:37153)
(2E)-2-benzylidene-3-(cyclohexylamino)indan-1-one (CHEBI:143126) is a 2-benzylidene-3-(cyclohexylamino)indan-1-one (CHEBI:94321)
IUPAC Name 
(2E)-2-benzylidene-3-(cyclohexylamino)indan-1-one
Synonyms  Source
BCISUBMITTER
(E)-2-benzylidene-3-(cyclohexylamino)-2,3-dihydro-1H-inden-1-oneChEBI
Registry NumbersSources
CAS:1245792-51-1ChEBI
Citations