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CHEBI:206288 - 3-((1-hydroxy-3-(2-methylbut-3-en-2-yl)-2-oxoindolin-3-yl)methyl)-1-methyl-3,4-dihydrobenzo[e][1,4]diazepine-2,5-dione

ChEBI IDCHEBI:206288
ChEBI Name3-((1-hydroxy-3-(2-methylbut-3-en-2-yl)-2-oxoindolin-3-yl)methyl)-1-methyl-3,4-dihydrobenzo[e][1,4]diazepine-2,5-dione
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H25N3O4
Net Charge0
Average Mass419.481
Monoisotopic Mass419.18451
SMILESC=CC(C)(C)C1(CC2NC(=O)c3ccccc3N(C)C2=O)C(=O)N(O)c2ccccc21
InChIInChI=1S/C24H25N3O4/c1-5-23(2,3)24(16-11-7-9-13-19(16)27(31)22(24)30)14-17-21(29)26(4)18-12-8-6-10-15(18)20(28)25-17/h5-13,17,31H,1,14H2,2-4H3,(H,25,28)
InChIKeyCAIGWSRMYOIDFV-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Aspergillusspecies (ncbitaxon:5065) - DOI (10.1016/j.tetlet.2014.02.062)
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)
3-((1-hydroxy-3-(2-methylbut-3-en-2-yl)-2-oxoindolin-3-yl)methyl)-1-methyl-3,4-dihydrobenzo[e][1,4]diazepine-2,5-dione (CHEBI:206288) is a benzodiazepine (CHEBI:22720)
IUPAC Name 
3-[[1-hydroxy-3-(2-methylbut-3-en-2-yl)-2-oxoindol-3-yl]methyl]-1-methyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione
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