Marvin 04041311432D 44 51 0 0 0 0 999 V2000 5.6048 -2.8650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8971 -3.2934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9147 -4.1132 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6363 -4.5147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3261 -3.2606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3522 -4.0852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1442 -4.3192 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1051 -2.9786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6046 -3.6364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4224 -3.5314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7381 -2.7677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2347 -2.1141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4199 -2.2245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6514 -5.3405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6786 -6.9846 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3840 -6.5609 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3773 -5.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9597 -6.5849 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9480 -5.7682 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2369 -5.3701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5370 -5.7881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5487 -6.6073 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8441 -7.0249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8522 -7.8482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5743 -8.2497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1060 -6.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1208 -7.7883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3181 -8.2616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2640 -7.0045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1624 -8.2597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7539 -7.4825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2339 -7.8053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0960 -6.1420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5468 -10.0199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5470 -9.1966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1252 -8.6073 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1254 -10.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9527 -10.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5312 -10.0199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5309 -9.1966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9527 -8.6071 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5310 -9.3125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3848 -7.3937 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9388 -4.9392 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 6 1 0 0 0 0 5 1 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 9 1 0 0 0 0 8 5 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 8 1 0 0 0 0 4 14 1 0 0 0 0 14 19 1 0 0 0 0 14 17 2 0 0 0 0 18 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 18 19 1 0 0 0 0 18 29 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 29 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 32 1 0 0 0 0 16 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 32 30 1 0 0 0 0 30 28 2 0 0 0 0 18 31 1 6 0 0 0 16 33 1 6 0 0 0 34 35 2 0 0 0 0 36 35 1 0 0 0 0 34 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 41 36 1 0 0 0 0 15 41 1 0 0 0 0 31 36 1 0 0 0 0 36 42 1 6 0 0 0 15 43 1 1 0 0 0 19 44 1 6 0 0 0 M END > CHEBI:66667 > manzamine A > An alkaloid of the class of β-carbolines isolated from Haliclona and Acanthostrongylophora. It exhibits inhibitory activity against Glycogen Synthase Kinase-3 (EC 2.7.11.26). > 3 > (4aR,7S,7aR,13Z,14aR,15aR,18Z)-5-(9H-beta-carbolin-1-yl)-4,4a,9,10,11,12,14a,15-octahydro-3H-7,2-oct[3]enoazocino[1',2':1,5]pyrrolo[2,3-i]isoquinolin-7(1H,7aH)-ol > C36H44N4O > 548.76080 > 548.35151 > 0 > [H][C@]12C[C@]34CN5CCCC\C=C/CC[C@](O)(C=C(c6nccc7c8ccccc8[nH]c67)[C@]3([H])CC5)[C@]4([H])N1CCCC\C=C/2 > InChI=1S/C36H44N4O/c41-36-18-10-4-1-2-5-11-20-39-22-17-30(35(25-39)23-26-13-7-3-6-12-21-40(26)34(35)36)29(24-36)32-33-28(16-19-37-32)27-14-8-9-15-31(27)38-33/h1,4,7-9,13-16,19,24,26,30,34,38,41H,2-3,5-6,10-12,17-18,20-23,25H2/b4-1-,13-7-/t26-,30-,34+,35-,36-/m0/s1 > FUCSLKWLLSEMDQ-MKYGIPPKSA-N > 104196-68-1 > 4625288 > 104196-68-1 > 10817722; 17708655; 18520099; 20017491; 20352293; 20645244; 23039372; 8158160 $$$$