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CHEBI:204271 - Asperdiazapinone C

ChEBI IDCHEBI:204271
ChEBI NameAsperdiazapinone C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H23N3O4
Net Charge0
Average Mass405.454
Monoisotopic Mass405.16886
SMILESCC(C)=CCc1ccc(O)c2c1C(=O)N[C@@H](Cc1cnc3cc(O)ccc13)C(=O)N2
InChIInChI=1S/C23H23N3O4/c1-12(2)3-4-13-5-8-19(28)21-20(13)23(30)25-18(22(29)26-21)9-14-11-24-17-10-15(27)6-7-16(14)17/h3,5-8,10-11,18,24,27-28H,4,9H2,1-2H3,(H,25,30)(H,26,29)/t18-/m0/s1
InChIKeyWTCPFXAMIWMDMP-SFHVURJKSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - DOI (10.1016/j.tet.2013.11.009)
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)
Asperdiazapinone C (CHEBI:204271) is a benzodiazepine (CHEBI:22720)
IUPAC Name 
(3S)-9-hydroxy-3-[(6-hydroxy-1H-indol-3-yl)methyl]-6-(3-methylbut-2-enyl)-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione
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