EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:220001 - Dihydroxy-dehydro tilivalline

ChEBI IDCHEBI:220001
ChEBI NameDihydroxy-dehydro tilivalline
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H17N3O3
Net Charge0
Average Mass347.374
Monoisotopic Mass347.12699
SMILESO=C1c2cc(O)cc(O)c2N[C@@H](c2cnc3ccccc23)[C@@H]2CC=CN12
InChIInChI=1S/C20H17N3O3/c24-11-8-13-19(17(25)9-11)22-18(16-6-3-7-23(16)20(13)26)14-10-21-15-5-2-1-4-12(14)15/h1-5,7-10,16,18,21-22,24-25H,6H2/t16-,18-/m0/s1
InChIKeySUWJFXOVRICCHZ-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)
Dihydroxy-dehydro tilivalline (CHEBI:220001) is a benzodiazepine (CHEBI:22720)
IUPAC Name 
(6S,6aS)-2,4-dihydroxy-6-(1H-indol-3-yl)-5,6,6a,7-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one
Manual XrefsDatabases
78442859ChemSpider