EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:189513 - N-[(6as,8s)-2-(2,3-dimethylphenyl)-6,12-dioxo-5,6,6a,7,8,9,10,12-octahydropyrido[2,1-c][1,4]benzodiazepin-8-yl]nicotinamide

ChEBI IDCHEBI:189513
ChEBI NameN-[(6as,8s)-2-(2,3-dimethylphenyl)-6,12-dioxo-5,6,6a,7,8,9,10,12-octahydropyrido[2,1-c][1,4]benzodiazepin-8-yl]nicotinamide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H26N4O3
Net Charge0
Average Mass454.530
Monoisotopic Mass454.20049
SMILES[H][C@@]12C[C@@H](NC(=O)c3cccnc3)CCN1C(=O)c1cc(-c3cccc(C)c3C)ccc1NC2=O
InChIInChI=1S/C27H26N4O3/c1-16-5-3-7-21(17(16)2)18-8-9-23-22(13-18)27(34)31-12-10-20(14-24(31)26(33)30-23)29-25(32)19-6-4-11-28-15-19/h3-9,11,13,15,20,24H,10,12,14H2,1-2H3,(H,29,32)(H,30,33)/t20-,24-/m0/s1
InChIKeyZRHVZESIBKIHCH-RDPSFJRHSA-N
Species of MetaboliteComponentSourceComments
Oryza sativa (ncbitaxon:4530) leaf sheath (BTO:0005094) MetaboLights (MTBLS3518)
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)
N-[(6as,8s)-2-(2,3-dimethylphenyl)-6,12-dioxo-5,6,6a,7,8,9,10,12-octahydropyrido[2,1-c][1,4]benzodiazepin-8-yl]nicotinamide (CHEBI:189513) is a benzodiazepine (CHEBI:22720)
IUPAC Name 
N-[(6aS,8S)-2-(2,3-dimethylphenyl)-6,12-dioxo-5,6a,7,8,9,10-hexahydropyrido[2,1-c][1,4]benzodiazepin-8-yl]pyridine-3-carboxamide
Manual XrefsDatabases
21388681ChemSpider