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CHEBI:71322 - dehydrocyclopeptine

ChEBI IDCHEBI:71322
ChEBI Namedehydrocyclopeptine
Stars
DefinitionA 1,4-benzodiazepinone that is 3,4-dihydro-1,4-benzodiazepine-2,5-dione substituted at position 4 by a methyl group and at position 3 by a benzylidene group.
Last Modified10 October 2022
SubmitterKAX
DownloadsMolfile
FormulaC17H14N2O2
Net Charge0
Average Mass278.311
Monoisotopic Mass278.10553
SMILESCN1C(=O)c2ccccc2NC(=O)C1=Cc1ccccc1
InChIInChI=1S/C17H14N2O2/c1-19-15(11-12-7-3-2-4-8-12)16(20)18-14-10-6-5-9-13(14)17(19)21/h2-11H,1H3,(H,18,20)
InChIKeyFYVKHLSOIIPVEH-UHFFFAOYSA-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)
dehydrocyclopeptine (CHEBI:71322) is a 1,4-benzodiazepinone (CHEBI:35500)
Incoming Relation(s)
(E)-dehydrocyclopeptine (CHEBI:71331) is a dehydrocyclopeptine (CHEBI:71322)
(Z)-dehydrocyclopeptine (CHEBI:71330) is a dehydrocyclopeptine (CHEBI:71322)
IUPAC Name 
3-benzylidene-4-methyl-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione
Synonym  Source
3,10-dehydrocyclopeptineChEBI
Registry NumbersSources
CAS:31965-37-4ChemIDplus
Citations