CHEBI:15692 - 3'-demethylstaurosporine

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ChEBI Name 3'-demethylstaurosporine
ChEBI ID CHEBI:15692
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:1337, CHEBI:11677
Supplier Information
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Formula C27H24N4O3
Net Charge 0
Average Mass 452.50462
Monoisotopic Mass 452.18484
InChI InChI=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
InChIKey YFYYWLWHOINTHH-FCHZLITKSA-N
SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1O)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via alkaloid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 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'-Demethylstaurosporine KEGG COMPOUND
Manual Xref Database
C07349 KEGG COMPOUND
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Last Modified
08 July 2010