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CHEBI:219990 - Dehydro tilivalline

ChEBI IDCHEBI:219990
ChEBI NameDehydro tilivalline
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H17N3O2
Net Charge0
Average Mass331.375
Monoisotopic Mass331.13208
SMILESO=C1c2cccc(O)c2N[C@@H](c2cnc3ccccc23)[C@@H]2CC=CN12
InChIInChI=1S/C20H17N3O2/c24-17-9-3-6-13-19(17)22-18(16-8-4-10-23(16)20(13)25)14-11-21-15-7-2-1-5-12(14)15/h1-7,9-11,16,18,21-22,24H,8H2/t16-,18-/m0/s1
InChIKeyLPMXORSOJRRADU-WMZOPIPTSA-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)
Dehydro tilivalline (CHEBI:219990) is a benzodiazepine (CHEBI:22720)
IUPAC Name 
(6S,6aS)-4-hydroxy-6-(1H-indol-3-yl)-5,6,6a,7-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one
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