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CHEBI:218213 - Isopropylchaetominine

ChEBI IDCHEBI:218213
ChEBI NameIsopropylchaetominine
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SubmitterMetaboLights
DownloadsMolfile
FormulaC25H24N4O4
Net Charge0
Average Mass444.491
Monoisotopic Mass444.17976
SMILESCC(C)C[C@H]1C(=O)N2c3ccccc3[C@@]3(O)C[C@@H](n4cnc5ccccc5c4=O)C(=O)N1[C@@H]23
InChIInChI=1S/C25H24N4O4/c1-14(2)11-19-22(31)28-18-10-6-4-8-16(18)25(33)12-20(23(32)29(19)24(25)28)27-13-26-17-9-5-3-7-15(17)21(27)30/h3-10,13-14,19-20,24,33H,11-12H2,1-2H3/t19-,20+,24+,25-/m0/s1
InChIKeyJRWGMVQNKKWNRY-QDPPLXMDSA-N
Species of MetaboliteComponentSourceComments
Aspergillus carneus (ncbitaxon:41282) - PubMed (30312652)
ChEBI Ontology
Outgoing Relation(s)
Isopropylchaetominine (CHEBI:218213) is a pyridoindole (CHEBI:48888)
IUPAC Name 
(1S,10S,13R,15S)-1-hydroxy-10-(2-methylpropyl)-13-(4-oxoquinazolin-3-yl)-8,11-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-2,4,6-triene-9,12-dione
Manual XrefsDatabases
71048891ChemSpider