EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:195147 - 4,7,8-Trimethyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-one

ChEBI IDCHEBI:195147
ChEBI Name4,7,8-Trimethyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H16N2O
Net Charge0
Average Mass204.273
Monoisotopic Mass204.12626
SMILESCc1cc2c(cc1C)NC(C)CC(=O)N2
InChIInChI=1S/C12H16N2O/c1-7-4-10-11(5-8(7)2)14-12(15)6-9(3)13-10/h4-5,9,13H,6H2,1-3H3,(H,14,15)
InChIKeyXLCUHBZBXLYRMW-UHFFFAOYSA-N
Roles Classification
Biological Role:
GABA modulator  A substance that does not act as agonist or antagonist but does affect the gamma-aminobutyric acid receptor-ionophore complex. GABA-A receptors appear to have at least three allosteric sites at which modulators act: a site at which benzodiazepines act by increasing the opening frequency of gamma-aminobutyric acid-activated chloride channels; a site at which barbiturates act to prolong the duration of channel opening; and a site at which some steroids may act.
Application:
GABA modulator  A substance that does not act as agonist or antagonist but does affect the gamma-aminobutyric acid receptor-ionophore complex. GABA-A receptors appear to have at least three allosteric sites at which modulators act: a site at which benzodiazepines act by increasing the opening frequency of gamma-aminobutyric acid-activated chloride channels; a site at which barbiturates act to prolong the duration of channel opening; and a site at which some steroids may act.
ChEBI Ontology
Outgoing Relation(s)
4,7,8-Trimethyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-one (CHEBI:195147) is a benzodiazepine (CHEBI:22720)
IUPAC Name 
2,7,8-trimethyl-1,2,3,5-tetrahydro-1,5-benzodiazepin-4-one