O-Demethyl-N-demethyl-staurosporine

Properties Image MNX_ID MNXM9939 reference chebi:190756 formula C26H22N4O3 global charge 0 mol weight 438.487 InChIKey ZTXLQQYIZJOJCW-MCNPSASJSA-N InChI InChI=1S/C26H22N4O3/c1-26-24(31)15(27)10-18(33-26)29-16-8-4-2-6-12(16)20-21-14(11-28-25(21)32)19-13-7-3-5-9-17(13)30(26)23(19)22(20)29/h2-9,15,18,24,31H,10-11,27H2,1H3,(H,28,32)/t15-,18-,24-,26+/m1/s1 SMILES C[C@]12O[C@H](C[C@@H](N)[C@H]1O)N1C3=C(C=CC=C3)C3=C4C(=O)NCC4=C4C5=C(C=CC=C5)N2C4=C31 MNX internals InChI (mnx) InChI=1/C26H22N4O3/c1-26-24(31)15(27)10-18(33-26)29-16-8-4-2-6-12(16)20-21-14(11-28-25(21)32)19-13-7-3-5-9-17(13)30(26)23(19)22(20)29/h2-9,15,18,24,31H,10-11,27H2,1H3,(H,28,32)/t15-,18-,24-,26+/m1/s1 SMILES (mnx) [CH3:1][C@:26]12[C@H:24]([OH:31])[C@H:15]([NH2:27])[CH2:10][C@H:18]([N:29]3[C:16]4=[CH:8][CH:4]=[CH:2][CH:6]=[C:12]4[C:20]4=[C:21]5[C:14](=[C:19]6[C:13]7=[CH:7][CH:3]=[CH:5][CH:9]=[C:17]7[N:30]1[C:23]6=[C:22]43)[CH2:11][N:28]=[C:25]5[OH:32])[O:33]2

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 4 in models (compartimentalized) 0