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 ChemicalBook:CB5855401, ZINC000005854633 Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search 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 ) View more via ChEBI Ontology 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 View more database links Registry Number Type Source 8573080 Reaxys Registry Number Reaxys Last Modified 10 November 2016