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CHEBI:66839 - 7-oxo-3,8,9-trihydroxy staurosporine

ChEBI IDCHEBI:66839
ChEBI Name7-oxo-3,8,9-trihydroxy staurosporine
Stars
DefinitionA indolocarbazole alkaloid that is staurosporine substituted by hydroxy groups at positions 3, 8 and 9 and an oxo group at position 7. Isolated from Cystodytes solitus, it exhibits cytotoxic activity.
Last Modified19 April 2013
DownloadsMolfile
FormulaC28H24N4O7
Net Charge0
Average Mass528.521
Monoisotopic Mass528.16450
SMILES[H][C@]12C[C@@H](NC)[C@@H](OC)[C@](C)(O1)n1c3ccc(O)c(O)c3c3c4c(c5c6cc(O)ccc6n2c5c31)C(=O)NC4=O
InChIInChI=1S/C28H24N4O7/c1-28-25(38-3)12(29-2)9-16(39-28)31-13-5-4-10(33)8-11(13)17-20-21(27(37)30-26(20)36)19-18-14(6-7-15(34)24(18)35)32(28)23(19)22(17)31/h4-8,12,16,25,29,33-35H,9H2,1-3H3,(H,30,36,37)/t12-,16-,25-,28+/m1/s1
InChIKeyVDHMIDRUYQWJMP-WSDGDUIDSA-N
Species of MetaboliteComponentSourceComments
Cystodytes solitus (WORMS:250443) - PubMed (18484775)
Roles Classification
Biological Roles:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
7-oxo-3,8,9-trihydroxy staurosporine (CHEBI:66839) has functional parent staurosporine (CHEBI:15738)
7-oxo-3,8,9-trihydroxy staurosporine (CHEBI:66839) has role antineoplastic agent (CHEBI:35610)
7-oxo-3,8,9-trihydroxy staurosporine (CHEBI:66839) has role metabolite (CHEBI:25212)
7-oxo-3,8,9-trihydroxy staurosporine (CHEBI:66839) is a indolocarbazole (CHEBI:51915)
7-oxo-3,8,9-trihydroxy staurosporine (CHEBI:66839) is a indolocarbazole alkaloid (CHEBI:37697)
7-oxo-3,8,9-trihydroxy staurosporine (CHEBI:66839) is a organic heterooctacyclic compound (CHEBI:38165)
7-oxo-3,8,9-trihydroxy staurosporine (CHEBI:66839) is a polyphenol (CHEBI:26195)
IUPAC Name 
(5S,6R,7R,9R)-1,2,12-trihydroxy-6-methoxy-5-methyl-7-(methylamino)-6,7,8,9-tetrahydro-5H,14H-5,9-epoxy-4b,9a,15-triazadibenzo[b,h]cyclonona[1,2,3,4-jkl]cyclopenta[e]-as-indacene-14,16(15H)-dione
Synonym  Source
(2S,3R,4R,6R)-11,22,23-trihydroxy-3-methoxy-2-methyl-4-(methylamino)-29-oxa-1,7,17-triazaoctacyclo[12.12.2.1[2,6].0[7,28].0[8,13].0[15,19].0[20,27].0[21,26]]nonacosa-8,10,12,14,19,21,23,25,27-nonaene- 16,18-dioneChEBI
Citations