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CHEBI:200071 - (11aS)-2,3-dihydro-7-methoxy-1H-pyrrolo[2,1-c][1,4]benzodiazepine-5,11(10H,11aH)-dione

ChEBI IDCHEBI:200071
ChEBI Name(11aS)-2,3-dihydro-7-methoxy-1H-pyrrolo[2,1-c][1,4]benzodiazepine-5,11(10H,11aH)-dione
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H14N2O3
Net Charge0
Average Mass246.266
Monoisotopic Mass246.10044
SMILESCOc1ccc2c(c1)C(=O)N1CCC[C@H]1C(=O)N2
InChIInChI=1S/C13H14N2O3/c1-18-8-4-5-10-9(7-8)13(17)15-6-2-3-11(15)12(16)14-10/h4-5,7,11H,2-3,6H2,1H3,(H,14,16)/t11-/m0/s1
InChIKeyHRVFFCPZDFNCMR-NSHDSACASA-N
Species of MetaboliteComponentSourceComments
Aspergillus ochraceus (ncbitaxon:40380) - DOI (10.1002/hlca.200900084)
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)
(11aS)-2,3-dihydro-7-methoxy-1H-pyrrolo[2,1-c][1,4]benzodiazepine-5,11(10H,11aH)-dione (CHEBI:200071) is a benzodiazepine (CHEBI:22720)
IUPAC Name 
(6aS)-2-methoxy-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-6,11-dione
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