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CHEBI:215585 - Takakiamide

ChEBI IDCHEBI:215585
ChEBI NameTakakiamide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H23N3O2
Net Charge0
Average Mass373.456
Monoisotopic Mass373.17903
SMILESCC(C)=CCn1cc(C[C@@H]2NC(=O)c3ccccc3NC2=O)c2ccccc21
InChIInChI=1S/C23H23N3O2/c1-15(2)11-12-26-14-16(17-7-4-6-10-21(17)26)13-20-23(28)24-19-9-5-3-8-18(19)22(27)25-20/h3-11,14,20H,12-13H2,1-2H3,(H,24,28)(H,25,27)/t20-/m0/s1
InChIKeyRLNXCRSSBIJUAB-FQEVSTJZSA-N
Species of MetaboliteComponentSourceComments
Neosartorya (ncbitaxon:36629) - PubMed (26082989)
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)
Takakiamide (CHEBI:215585) is a benzodiazepine (CHEBI:22720)
IUPAC Name 
3-[[1-(3-methylbut-2-enyl)indol-3-yl]methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione
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