Search MNXref
 Feedback

3'-demethylstaurosporine

PropertiesImage
MNX_IDMNXM3831 Image of MNXM3831
referencechebi:57473
formulaC27H25N4O3
global charge1
mol weight453.522
InChIKeyYFYYWLWHOINTHH-FCHZLITKSA-O
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)/p+1/t16-,19-,25-,27+/m1/s1
SMILESC[NH2+][C@@H]1C[C@H]2O[C@@](C)([C@@H]1O)N1C3=C(C=CC=C3)C3=C4CNC(=O)C4=C4C5=C(C=CC=C5)N2C4=C31
MNX internals
InChI (mnx)InChI=1/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 Image of MNXM3831
SMILES (mnx)[CH3:1][C@:27]12[C@H:25]([OH:32])[C@H:16]([NH:28][CH3:2])[CH2:11][C@H:19]([N:30]3[C:17]4=[CH:9][CH:5]=[CH:3][CH:7]=[C:13]4[C:21]4=[C:22]5[C:15](=[C:20]6[C:14]7=[CH:8][CH:4]=[CH:6][CH:10]=[C:18]7[N:31]1[C:24]6=[C:23]43)[CH2:12][N:29]=[C:26]5[OH:33])[O:34]2
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:57473
chebi:57473
YFYYWLWHOINTHH-FCHZLITKSA-O 		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
YFYYWLWHOINTHH-FCHZLITKSA-N 		3'-Demethylstaurosporine
3'-Demethoxy-3'-hydroxystaurosporine

seed.compound:cpd04552
seedM:cpd04552
YFYYWLWHOINTHH-FCHZLITKSA-O 		3'-Demethylstaurosporine
3'-Demethoxy-3'-hydroxystaurosporine
3'-O-demethyl-staurosporine
3'-demethyl-staurosporine
DMSTP

metacyc.compound:3-DEMETHYLSTAUROSPORINE
metacycM:3-DEMETHYLSTAUROSPORINE
YFYYWLWHOINTHH-FCHZLITKSA-O 		3'-O-demethyl-staurosporine
3'-demethyl-staurosporine
DMSTP

CHEBI:15692
chebi:15692
YFYYWLWHOINTHH-FCHZLITKSA-N 		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