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CHEBI:208293 - Isochaetominine A

ChEBI IDCHEBI:208293
ChEBI NameIsochaetominine A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC24H22N4O4
Net Charge0
Average Mass430.464
Monoisotopic Mass430.16411
SMILESCC(C)[C@H]1C(=O)N2c3ccccc3[C@]3(O)C[C@@H](n4cnc5ccccc5c4=O)C(=O)N1[C@H]23
InChIInChI=1S/C24H22N4O4/c1-13(2)19-22(31)27-17-10-6-4-8-15(17)24(32)11-18(21(30)28(19)23(24)27)26-12-25-16-9-5-3-7-14(16)20(26)29/h3-10,12-13,18-19,23,32H,11H2,1-2H3/t18-,19+,23+,24-/m1/s1
InChIKeyNBKVRNRJWWLJKF-RJADORODSA-N
Species of MetaboliteComponentSourceComments
Aspergillusspecies (ncbitaxon:5065) - PubMed (25581396)
ChEBI Ontology
Outgoing Relation(s)
Isochaetominine A (CHEBI:208293) is a pyridoindole (CHEBI:48888)
IUPAC Name 
(1R,10S,13R,15R)-1-hydroxy-13-(4-oxoquinazolin-3-yl)-10-propan-2-yl-8,11-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-2,4,6-triene-9,12-dione
Manual XrefsDatabases
59005019ChemSpider