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3'-demethylstaurosporine

Properties

Image

Occurences in reactions

MNX_ID

MNXM3831

	#reac
in my sandbox	0
in MNXref (generic)	3
in models (compartimentalized)	0

formula

C₂₇H₂₅N₄O₃

charge

mass

453.19212

reference

chebi:57473

InChIKey

YFYYWLWHOINTHH-FCHZLITKSA-O

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)/p+1/t16-,19-,25-,27+/m1/s1

SMILES

C[NH2+][C@@H]1C[C@H]2O[C@@](C)([C@@H]1O)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:57473 chebi:57473	3'-demethylstaurosporine (5S,6R,7R,9R)-6-hydroxy-5-methyl-7-methylazaniumyl-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 (5S,6R,7R,9R)-6-hydroxy-N,5-dimethyl-14-oxo-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-7-aminium 3'-demethylstaurosporinium cation 3'-demethylstaurosporinium(1+)
kegg.compound:C07349 keggC:C07349	3'-Demethylstaurosporine 3'-Demethoxy-3'-hydroxystaurosporine
seed.compound:cpd04552 seedM:cpd04552	3'-Demethylstaurosporine 3'-Demethoxy-3'-hydroxystaurosporine 3'-O-demethyl-staurosporine 3'-demethyl-staurosporine DMSTP
metacyc.compound:3-DEMETHYLSTAUROSPORINE metacycM:3-DEMETHYLSTAUROSPORINE	3'-O-demethyl-staurosporine 3'-demethyl-staurosporine DMSTP
CHEBI:15692 chebi:15692	3'-demethylstaurosporine (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 3'-Demethylstaurosporine
chebi:11677 chebi:1337 keggC:M_C07349 seedM:M_cpd04552	secondary/obsolete/fantasy identifier