hapalindole U

Properties Image MNX_ID MNXM1100515 reference seedM:cpd32471 formula C21H25N2 global charge 1 mol weight 305.445 InChIKey KKBSCOYPFFECKY-ZRRCRCOKSA-N InChI InChI=1S/C21H25N2/c1-6-21(4)11-10-15-18(19(21)22-5)13-12-23-16-9-7-8-14(17(13)16)20(15,2)3/h5-9,12,15,18-19,23H,1,10-11H2,2-4H3/q+1/t15-,18+,19+,21-/m0/s1 SMILES C#[N+][C@@H]1[C@@H]2C3=CNC4=CC=CC(=C43)C(C)(C)[C@H]2CC[C@]1(C)C=C MNX internals InChI (mnx) InChI=1/C21H25N2/c1-6-21(4)11-10-15-18(19(21)22-5)13-12-23-16-9-7-8-14(17(13)16)20(15,2)3/h5-9,12,15,18-19,23H,1,10-11H2,2-4H3/q+1/t15-,18+,19+,21-/m0/s1 SMILES (mnx) [CH2:1]=[CH:6][C@@:21]1([CH3:4])[CH2:11][CH2:10][C@H:15]2[C@@H:18]([C:13]3=[CH:12][NH:23][C:16]4=[CH:9][CH:7]=[CH:8][C:14](=[C:17]34)[C:20]2([CH3:2])[CH3:3])[C@H:19]1[N+:22]#[CH:5]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 0