EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:192691 - (2S,3R,11S)-aszonalenin zwitterion

ChEBI IDCHEBI:192691
ChEBI Name(2S,3R,11S)-aszonalenin zwitterion
Stars
ASCII Name(2S,3R,11S)-aszonalenin zwitterion
DefinitionMajor microspecies at pH 7.3.
SubmitterAnne Morgat
DownloadsMolfile
FormulaC23H23N3O2
Net Charge0
Average Mass373.456
Monoisotopic Mass373.17903
SMILES[H][C@@]12C[C@@]3(C(C)(C)C=C)c4ccccc4N[C@@]3([H])N1C(=O)c1ccccc1[NH+]=C2[O-]
InChIInChI=1S/C23H23N3O2/c1-4-22(2,3)23-13-18-19(27)24-16-11-7-5-9-14(16)20(28)26(18)21(23)25-17-12-8-6-10-15(17)23/h4-12,18,21,25H,1,13H2,2-3H3,(H,24,27)/t18-,21-,23+/m0/s1
InChIKeyAVLMMDWEIUEKEK-AVCGJXAMSA-N
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)
(2S,3R,11S)-aszonalenin zwitterion (CHEBI:192691) is a benzodiazepine (CHEBI:22720)
(2S,3R,11S)-aszonalenin zwitterion (CHEBI:192691) is a zwitterion (CHEBI:27369)
UniProt Name  Source
(2S,3R,11S)-aszonaleninUniProt
Citations