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CHEBI:94321 - 2-benzylidene-3-(cyclohexylamino)indan-1-one

ChEBI IDCHEBI:94321
ChEBI Name2-benzylidene-3-(cyclohexylamino)indan-1-one
Stars
DefinitionA member of the class of indanones that is indan-1-one which is substituted by a benzylidene group at position 2 and a cyclohexylamino group at position 3. The E isomer is an inhibitor of the dual specificity phosphatase 6 (Dusp6).
Last Modified28 November 2019
DownloadsMolfile
FormulaC22H23NO
Net Charge0
Average Mass317.432
Monoisotopic Mass317.17796
SMILESO=C1C(=Cc2ccccc2)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
InChIKeyXJDKPLZUXCIMIS-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
2-benzylidene-3-(cyclohexylamino)indan-1-one (CHEBI:94321) is a enone (CHEBI:51689)
2-benzylidene-3-(cyclohexylamino)indan-1-one (CHEBI:94321) is a indanones (CHEBI:24789)
2-benzylidene-3-(cyclohexylamino)indan-1-one (CHEBI:94321) is a secondary amino compound (CHEBI:50995)
Incoming Relation(s)
(2E)-2-benzylidene-3-(cyclohexylamino)indan-1-one (CHEBI:143126) is a 2-benzylidene-3-(cyclohexylamino)indan-1-one (CHEBI:94321)
Synonym  Source
3-(cyclohexylamino)-2-(phenylmethylene)-3H-inden-1-oneChEBI
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