EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:170046 - 4-(2-hydroxyphenyl)-8,9-dimethyl-2,3-dihydro-1H-1,5-benzodiazepin-2-one

ChEBI IDCHEBI:170046
ChEBI Name4-(2-hydroxyphenyl)-8,9-dimethyl-2,3-dihydro-1H-1,5-benzodiazepin-2-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H16N2O2
Net Charge0
Average Mass280.327
Monoisotopic Mass280.12118
SMILESCc1ccc2c(c1C)NC(=O)CC(c1ccccc1O)=N2
InChIInChI=1S/C17H16N2O2/c1-10-7-8-13-17(11(10)2)19-16(21)9-14(18-13)12-5-3-4-6-15(12)20/h3-8,20H,9H2,1-2H3,(H,19,21)
InChIKeyFCXQLOZOVDMZHS-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Staphylococcus aureus (ncbitaxon:1280)
Culture media, conditioned (OMIT:0017487) MetaboLights (MTBLS2105) Strain: Staphylococcus aureus subsp. aureus USA300 [NCBI:txid367830]
Culture media, conditioned (OMIT:0017487) MetaboLights (MTBLS2105)
Pseudomonas aeruginosa (ncbitaxon:287)
Culture media, conditioned (OMIT:0017487) MetaboLights (MTBLS2105)
Culture media, conditioned (OMIT:0017487) MetaboLights (MTBLS2105) Strain: Pseudomonas aeruginosa UCBPP-PA14 [NCBI:txid208963]
unidentified (ncbitaxon:32644) Culture media, conditioned (OMIT:0017487) MetaboLights (MTBLS2105)
Pseudomonas aeruginosa/Staphylococcus aureus (ncbitaxon:1280) Culture media, conditioned (OMIT:0017487) MetaboLights (MTBLS2105)
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-(2-hydroxyphenyl)-8,9-dimethyl-2,3-dihydro-1H-1,5-benzodiazepin-2-one (CHEBI:170046) is a benzodiazepine (CHEBI:22720)
IUPAC Name 
4-(2-hydroxyphenyl)-8,9-dimethyl-1,3-dihydro-1,5-benzodiazepin-2-one
Manual XrefsDatabases
17922984ChemSpider