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CHEBI:190756 - O-Demethyl-N-demethyl-staurosporine

Default Structure
ChEBI IDCHEBI:190756
ChEBI NameO-Demethyl-N-demethyl-staurosporine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H22N4O3
Net Charge0
Average Mass438.487
Monoisotopic Mass438.16919
SMILES[H][C@]12C[C@@H](N)[C@@H](O)[C@](C)(O1)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4
InChIInChI=1S/C26H22N4O3/c1-26-24(31)15(27)10-18(33-26)29-16-8-4-2-6-12(16)20-21-14(11-28-25(21)32)19-13-7-3-5-9-17(13)30(26)23(19)22(20)29/h2-9,15,18,24,31H,10-11,27H2,1H3,(H,28,32)/t15-,18-,24-,26+/m1/s1
InChIKeyZTXLQQYIZJOJCW-MCNPSASJSA-N
Species of MetaboliteComponentSourceComments
Oreochromis niloticus (ncbitaxon:8128) serum (BTO:0001239) MetaboLights (MTBLS4262)
ChEBI Ontology
Outgoing Relation(s)
O-Demethyl-N-demethyl-staurosporine (CHEBI:190756) is a indolocarbazole (CHEBI:51915)
IUPAC Name 
(2S,3R,4R,6R)-4-amino-3-hydroxy-2-methyl-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21,23,25,27-nonaen-16-one
Manual XrefsDatabases
9158207ChemSpider
C21128KEGG COMPOUND