CHEBI:131373 - 2-amino-4-(3-cyclohexen-1-yl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydrochromene-3-carbonitrile

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ChEBI Name 2-amino-4-(3-cyclohexen-1-yl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydrochromene-3-carbonitrile
ChEBI ID CHEBI:131373
Definition A member of the class of chromenes that is 7,7-dimethyl-5-oxo-5,6,7,8-tetrahydrochromene carrying additional amino, cyano and 3-cyclohexen-1-yl substituents at positions 2, 3 and 4 respectively.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C18H22N2O2
Net Charge 0
Average Mass 298.380
Monoisotopic Mass 298.16813
InChI InChI=1S/C18H22N2O2/c1-18(2)8-13(21)16-14(9-18)22-17(20)12(10-19)15(16)11-6-4-3-5-7-11/h3-4,11,15H,5-9,20H2,1-2H3
InChIKey DFIBLPWNKGOUGB-UHFFFAOYSA-N
SMILES O1C2=C(C(C3CCC=CC3)C(=C1N)C#N)C(=O)CC(C2)(C)C
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) See: PubMed
Homo sapiens (NCBI:txid9606) See: MetaboLights Study
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
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ChEBI Ontology
Outgoing 2-amino-4-(3-cyclohexen-1-yl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydrochromene-3-carbonitrile (CHEBI:131373) is a aliphatic nitrile (CHEBI:80291)
2-amino-4-(3-cyclohexen-1-yl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydrochromene-3-carbonitrile (CHEBI:131373) is a chromenes (CHEBI:23232)
2-amino-4-(3-cyclohexen-1-yl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydrochromene-3-carbonitrile (CHEBI:131373) is a cyclic ketone (CHEBI:3992)
2-amino-4-(3-cyclohexen-1-yl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydrochromene-3-carbonitrile (CHEBI:131373) is a enamine (CHEBI:47989)
2-amino-4-(3-cyclohexen-1-yl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydrochromene-3-carbonitrile (CHEBI:131373) is a enone (CHEBI:51689)
IUPAC Name
2-amino-4-(cyclohex-3-en-1-yl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Manual Xref Database
532384 ChemSpider
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Registry Number Type Source
8573080 Reaxys Registry Number Reaxys
Last Modified
10 November 2016