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CHEBI:219985 - 9-deoxy tilivalline

ChEBI IDCHEBI:219985
ChEBI Name9-deoxy tilivalline
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H19N3O
Net Charge0
Average Mass317.392
Monoisotopic Mass317.15281
SMILESO=C1c2ccccc2N[C@@H](c2cnc3ccccc23)[C@@H]2CCCN12
InChIInChI=1S/C20H19N3O/c24-20-14-7-2-4-9-17(14)22-19(18-10-5-11-23(18)20)15-12-21-16-8-3-1-6-13(15)16/h1-4,6-9,12,18-19,21-22H,5,10-11H2/t18-,19-/m0/s1
InChIKeyCAWZYUQNVABYFN-OALUTQOASA-N
Species of MetaboliteComponentSourceComments
Xenorhabdus eapokensis (ncbitaxon:1873482) - PubMed (29596433)
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)
9-deoxy tilivalline (CHEBI:219985) is a benzodiazepine (CHEBI:22720)
IUPAC Name 
(6S,6aS)-6-(1H-indol-3-yl)-5,6,6a,7,8,9-hexahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one
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