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CHEBI:66840 - 7-oxo-8,9-dihydroxy-4'-N-demethyl staurosporine

ChEBI IDCHEBI:66840
ChEBI Name7-oxo-8,9-dihydroxy-4'-N-demethyl staurosporine
Stars
ASCII Name7-oxo-8,9-dihydroxy-4'-N-demethyl staurosporine
DefinitionA indolocarbazole alkaloid that is 4'-N-demethyl staurosporine substituted by hydroxy groups at positions 8 and 9 and an xo group at position 7. Isolated from Cystodytes solitus, it exhibits antineoplastic activity.
Last Modified19 April 2013
DownloadsMolfile
FormulaC27H22N4O6
Net Charge0
Average Mass498.495
Monoisotopic Mass498.15393
SMILES[H][C@]12C[C@@H](N)[C@@H](OC)[C@](C)(O1)n1c3ccc(O)c(O)c3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4=O
InChIInChI=1S/C27H22N4O6/c1-27-24(36-2)11(28)9-15(37-27)30-12-6-4-3-5-10(12)16-19-20(26(35)29-25(19)34)18-17-13(7-8-14(32)23(17)33)31(27)22(18)21(16)30/h3-8,11,15,24,32-33H,9,28H2,1-2H3,(H,29,34,35)/t11-,15-,24-,27+/m1/s1
InChIKeyMPFXTYXHOXVKPU-YWVZRHFBSA-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-8,9-dihydroxy-4'-N-demethyl staurosporine (CHEBI:66840) has functional parent staurosporine (CHEBI:15738)
7-oxo-8,9-dihydroxy-4'-N-demethyl staurosporine (CHEBI:66840) has role antineoplastic agent (CHEBI:35610)
7-oxo-8,9-dihydroxy-4'-N-demethyl staurosporine (CHEBI:66840) has role metabolite (CHEBI:25212)
7-oxo-8,9-dihydroxy-4'-N-demethyl staurosporine (CHEBI:66840) is a indolocarbazole (CHEBI:51915)
7-oxo-8,9-dihydroxy-4'-N-demethyl staurosporine (CHEBI:66840) is a indolocarbazole alkaloid (CHEBI:37697)
7-oxo-8,9-dihydroxy-4'-N-demethyl staurosporine (CHEBI:66840) is a organic heterooctacyclic compound (CHEBI:38165)
7-oxo-8,9-dihydroxy-4'-N-demethyl staurosporine (CHEBI:66840) is a phenols (CHEBI:33853)
IUPAC Name 
(5S,6R,7R,9R)-7-amino-1,2-dihydroxy-6-methoxy-5-methyl-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)-4-amino-22,23-dihydroxy-3-methoxy-2-methyl-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