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CHEBI:90904 - asperlicin C

Default Structure
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:
Aspergillus metabolite  Any fungal metabolite produced during a metabolic reaction in the mould, Aspergillus .
cholecystokinin antagonist  A hormone antagonist that inhibits the action of the peptide hormone cholecystokinin.
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