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CHEBI:15692 - 3'-demethylstaurosporine

ChEBI IDCHEBI:15692
ChEBI Name3'-demethylstaurosporine
Stars
Secondary ChEBI IDsCHEBI:1337, CHEBI:11677
Last Modified8 July 2010
DownloadsMolfile
FormulaC27H24N4O3
Net Charge0
Average Mass452.514
Monoisotopic Mass452.18484
SMILESCN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1O)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4
InChIInChI=1S/C27H24N4O3/c1-27-25(32)16(28-2)11-19(34-27)30-17-9-5-3-7-13(17)21-22-15(12-29-26(22)33)20-14-8-4-6-10-18(14)31(27)24(20)23(21)30/h3-10,16,19,25,28,32H,11-12H2,1-2H3,(H,29,33)/t16-,19-,25-,27+/m1/s1
InChIKeyYFYYWLWHOINTHH-FCHZLITKSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
3'-demethylstaurosporine (CHEBI:15692) has functional parent staurosporine (CHEBI:15738)
3'-demethylstaurosporine (CHEBI:15692) is a indolocarbazole alkaloid (CHEBI:37697)
3'-demethylstaurosporine (CHEBI:15692) is conjugate base of 3'-demethylstaurosporinium(1+) (CHEBI:57473)
Incoming Relation(s)
3'-demethylstaurosporinium(1+) (CHEBI:57473) is conjugate acid of 3'-demethylstaurosporine (CHEBI:15692)
IUPAC Name 
(5S,6R,7R,9R)-6-hydroxy-5-methyl-7-methylamino-6,7,8,9,15,16-hexahydro-5H,14H-5,9-epoxy-4b,9a,15-triazadibenzo[b,h]cyclonona[1,2,3,4-jkl]cyclopenta[e]-as-indacen-14-one
Synonym  Source
3'-DemethylstaurosporineKEGG COMPOUND
Manual XrefsDatabases
C07349KEGG COMPOUND