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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)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4
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)[c:1]12[c:2]([c:4]3[c:3]4[c:5]5[c:6]1-[c:14]1[c:13]([cH:18][cH:17][cH:16][cH:15]1)[CH:19]5[N@:31]1([OH:32])[CH2:21][C@H:24]([CH:20]4[c:7]4[c:8]-3[cH:10][cH:9][cH:12][cH:11]4)[CH2:23][C@@H:22]([CH2:25][CH3:26])[O:33]1[OH:34])[N:29](=[NH:30])[CH2:27][NH:28]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