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

Properties Image MNX_ID MNXM102198 reference chebi:66840 formula C27H22N4O6 global charge 0 mol weight 498.495 InChIKey MPFXTYXHOXVKPU-YWVZRHFBSA-N InChI InChI=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 SMILES CO[C@@H]1[C@H](N)C[C@H]2O[C@]1(C)N1C3=C(C(O)=C(O)C=C3)C3=C4C(=O)NC(=O)C4=C4C5=C(C=CC=C5)N2C4=C31 MNX internals InChI (mnx) InChI=1/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 SMILES (mnx) [CH3:1][C@:27]12[C@H:24]([O:36][CH3:2])[C@H:11]([NH2:28])[CH2:9][C@H:15]([N:30]3[C:12]4=[CH:6][CH:4]=[CH:3][CH:5]=[C:10]4[C:16]4=[C:19]5[C:20](=[C:18]6[C:17]7=[C:23]([OH:33])[C:14]([OH:32])=[CH:8][CH:7]=[C:13]7[N:31]1[C:22]6=[C:21]43)[C:26](=[O:35])[N:29]=[C:25]5[OH:34])[O:37]2

Parent-child relations graph

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