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

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ChEBI Name (2E)-2-benzylidene-3-(cyclohexylamino)indan-1-one
ChEBI ID CHEBI:143126
ChEBI ASCII Name (2E)-2-benzylidene-3-(cyclohexylamino)indan-1-one
Definition A 2-benzylidene-3-(cyclohexylamino)indan-1-one in which the double bond has E configuration. An inhibitor of the dual specificity phosphatase 6 (Dusp6).
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Ceri
Supplier Information ChemicalBook:CB2395104, eMolecules:592473, Selleckchem:Nitrendipine
Download Molfile XML SDF
Formula C22H23NO
Net Charge 0
Average Mass 317.432
Monoisotopic Mass 317.17796
InChI InChI=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+
InChIKey XJDKPLZUXCIMIS-HMMYKYKNSA-N
SMILES O=C1\C(\C(NC2CCCCC2)C=3C1=CC=CC3)=C\C4=CC=CC=C4
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Biological Role(s): 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).
apoptosis inducer
Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (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 Sources
(E)-2-benzylidene-3-(cyclohexylamino)-2,3-dihydro-1H-inden-1-one ChEBI
BCI SUBMITTER
Registry Number Type Source
1245792-51-1 CAS Registry Number ChEBI
Citation Type Source
19578332 PubMed citation Europe PMC
Last Modified
28 November 2019