Marvin 07091309472D 59 71 0 0 0 0 999 V2000 11.9282 -8.5095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2161 -8.0928 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7982 -9.7448 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7983 -10.5651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5104 -10.9735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5040 -9.3346 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.4994 -8.5095 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.2016 -9.7629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9040 -9.3372 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.2238 -10.5588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2321 -8.9290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7156 -8.2621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3797 -7.5119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5604 -7.4275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0783 -8.0994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4168 -8.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0844 -10.9787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2172 -7.2677 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.2790 -7.7094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7724 -6.5727 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.2083 -8.9178 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4998 -10.1597 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1878 -3.2836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4757 -2.8670 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0579 -4.5190 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.0580 -5.3393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7700 -5.7476 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.7636 -4.1087 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.7591 -3.2837 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.4612 -4.5372 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1636 -4.1114 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.9407 -4.3945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2058 -5.1745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9344 -5.9493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7562 -5.8649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4834 -5.3331 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4917 -3.7033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9754 -3.0363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6393 -2.2861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8200 -2.2017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3379 -2.8736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6765 -3.6211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3441 -5.7529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4768 -2.0419 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.9553 -2.7215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5386 -2.4836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0321 -1.3469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4679 -3.6921 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7594 -4.9338 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5680 -4.8213 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0430 -5.1172 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6168 -9.7526 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6138 -8.9176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6053 -8.0926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3326 -9.3228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3410 -10.1479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5970 -6.5715 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1803 -6.3299 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2637 -6.1257 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 28 29 1 0 0 0 0 4 5 1 0 0 0 0 12 13 1 0 0 0 0 29 38 1 0 0 0 0 6 7 1 0 0 0 0 13 14 2 0 0 0 0 30 31 1 0 0 0 0 1 2 1 0 0 0 0 31 32 1 0 0 0 0 14 15 1 0 0 0 0 32 33 2 0 0 0 0 8 6 1 0 0 0 0 15 16 2 0 0 0 0 33 35 1 0 0 0 0 34 35 1 0 0 0 0 16 11 1 0 0 0 0 27 36 1 0 0 0 0 34 36 1 0 0 0 0 30 36 1 0 0 0 0 25 37 1 0 0 0 0 7 12 1 0 0 0 0 4 17 2 0 0 0 0 37 38 2 0 0 0 0 38 39 1 0 0 0 0 2 18 1 0 0 0 0 39 40 2 0 0 0 0 7 2 1 0 0 0 0 40 41 1 0 0 0 0 7 19 1 1 0 0 0 41 42 2 0 0 0 0 42 37 1 0 0 0 0 8 9 1 0 0 0 0 26 43 2 0 0 0 0 18 20 1 0 0 0 0 24 44 1 0 0 0 0 19 20 1 0 0 0 0 32 45 1 0 0 0 0 45 44 1 0 0 0 0 9 1 1 0 0 0 0 29 46 1 1 0 0 0 2 21 1 6 0 0 0 44 47 1 0 0 0 0 46 47 1 0 0 0 0 5 10 1 0 0 0 0 24 48 1 6 0 0 0 6 22 1 1 0 0 0 28 49 1 1 0 0 0 8 10 2 0 0 0 0 31 50 1 6 0 0 0 3 11 1 0 0 0 0 30 51 1 6 0 0 0 27 20 1 0 0 0 0 29 24 1 0 0 0 0 9 52 1 6 0 0 0 31 23 1 0 0 0 0 9 53 1 0 0 0 0 23 24 1 0 0 0 0 53 54 1 0 0 0 0 54 18 1 0 0 0 0 30 28 1 0 0 0 0 53 55 2 0 0 0 0 6 3 1 0 0 0 0 55 56 1 0 0 0 0 3 4 1 0 0 0 0 20 57 1 1 0 0 0 11 12 2 0 0 0 0 27 58 1 1 0 0 0 28 25 1 0 0 0 0 36 59 1 6 0 0 0 M END > CHEBI:66528 > strychnogucine A > A bisindole alkaloid with a strychnine substructure isolated from the roots of Strychnos icaja and has been shown to exhibit antiplasmodial activity. > 3 > (11alpha)-11-[(2R,3aR,11bS,12S,13aS,14E)-14-ethylidene-9-oxo-2,3,10,12,13,13a-hexahydro-9H,11bH-1,12-ethanopyrido[1,2,3-lm]pyrrolo[2,3-d]carbazol-2-yl]strychnidin-10-one > C42H42N4O3 > 650.80790 > 650.32569 > 0 > [H][C@]12C[C@]3([H])N(C\C1=C\C)[C@]([H])(C[C@@]31c3ccccc3N3C(=O)CC=C2[C@@]13[H])[C@]1([H])C(=O)N2c3ccccc3[C@]34CCN5CC6=CCO[C@]1([H])[C@]([H])([C@@]6([H])C[C@@]35[H])[C@]24[H] > InChI=1S/C42H42N4O3/c1-2-22-21-44-31(19-42-28-8-4-5-9-29(28)45-34(47)12-11-24(38(42)45)25(22)17-33(42)44)36-37-35-26-18-32-41(14-15-43(32)20-23(26)13-16-49-37)27-7-3-6-10-30(27)46(39(35)41)40(36)48/h2-11,13,25-26,31-33,35-39H,12,14-21H2,1H3/b22-2-/t25-,26-,31+,32-,33-,35-,36-,37+,38-,39-,41+,42+/m0/s1 > PXWJNFJRUYWQOX-DSNAYJLUSA-N > 8820459 > 11170658 $$$$