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CHEBI:90904 - asperlicin C

ChEBI IDCHEBI:90904
ChEBI Nameasperlicin C
Stars
DefinitionA member of the class of asperlicins in which the core 6,7-dihydroquinazolino[3,2-a][1,4]benzodiazepine-5,13-dione skeleton is substituted at the 7 pro-S position by an indol-3-ylmethyl group. It is a cholecystokinin antagonist.
Last Modified27 January 2016
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC25H18N4O2
Net Charge0
Average Mass406.445
Monoisotopic Mass406.14298
SMILESO=C1N[C@@H](Cc2cnc3ccccc23)c2nc3ccccc3c(=O)n2-c2ccccc21
InChIInChI=1S/C25H18N4O2/c30-24-18-9-3-6-12-22(18)29-23(27-20-11-5-2-8-17(20)25(29)31)21(28-24)13-15-14-26-19-10-4-1-7-16(15)19/h1-12,14,21,26H,13H2,(H,28,30)/t21-/m0/s1
InChIKeyBUTFEAMXSRJHIM-NRFANRHFSA-N
Species of MetaboliteComponentSourceComments
Aspergillus alliaceus (ncbitaxon:209559) - PubMed (3417561) Strain: ATCC20655 and 20656
Roles Classification
Biological Roles:
cholecystokinin antagonist  A hormone antagonist that inhibits the action of the peptide hormone cholecystokinin.
Aspergillus metabolite  Any fungal metabolite produced during a metabolic reaction in the mould, Aspergillus .
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
Application:
cholecystokinin antagonist  A hormone antagonist that inhibits the action of the peptide hormone cholecystokinin.
ChEBI Ontology
Outgoing Relation(s)
asperlicin C (CHEBI:90904) has role Aspergillus metabolite (CHEBI:76956)
asperlicin C (CHEBI:90904) has role cholecystokinin antagonist (CHEBI:73296)
asperlicin C (CHEBI:90904) is a asperlicins (CHEBI:91003)
asperlicin C (CHEBI:90904) is a indoles (CHEBI:24828)
asperlicin C (CHEBI:90904) is a organic heterotetracyclic compound (CHEBI:38163)
IUPAC Name 
(7S)-7-(1H-indol-3-ylmethyl)-6,7-dihydroquinazolino[3,2-a][1,4]benzodiazepine-5,13-dione
Synonym  Source
(−)-asperlicin CChEBI
UniProt Name  Source
asperlicin CUniProt
Manual XrefsDatabases
CPD-17021MetaCyc
Registry NumbersSources
Reaxys:8016853Reaxys
CAS:93413-06-0ChemIDplus
Citations