Marvin 02201310222D 38 42 0 0 0 0 999 V2000 2.4191 -11.6113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4191 -12.4371 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1318 -12.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1318 -11.1942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8444 -11.6113 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.8456 -12.4371 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5572 -12.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2725 -12.4353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5551 -11.1952 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2671 -11.6118 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2749 -9.9649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5559 -10.3726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9869 -10.3815 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9833 -11.2021 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7627 -11.4593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2481 -10.7974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7686 -10.1314 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7045 -12.8510 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9887 -12.4392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9875 -11.6134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8370 -10.7855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8412 -13.2587 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5502 -12.0200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2593 -10.7855 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9766 -12.0242 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9808 -9.5551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0273 -9.3471 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8357 -9.1790 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4773 -8.7310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3856 -9.7951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4896 -10.8814 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7057 -13.6768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2742 -12.8531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4390 -12.4408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1531 -12.8541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1524 -13.6808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4316 -14.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2796 -13.6768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 18 1 1 0 0 0 8 10 1 0 0 0 0 18 19 1 0 0 0 0 9 10 1 0 0 0 0 19 20 2 0 0 0 0 3 6 1 0 0 0 0 5 4 1 0 0 0 0 5 21 1 1 0 0 0 5 6 1 0 0 0 0 6 22 1 6 0 0 0 9 23 1 6 0 0 0 9 12 1 0 0 0 0 10 24 1 1 0 0 0 10 14 1 0 0 0 0 14 25 1 6 0 0 0 13 11 1 0 0 0 0 13 26 1 1 0 0 0 11 12 1 0 0 0 0 17 27 1 0 0 0 0 13 14 1 0 0 0 0 27 28 1 0 0 0 0 1 2 1 0 0 0 0 27 29 1 6 0 0 0 1 4 1 0 0 0 0 28 30 1 0 0 0 0 2 3 1 0 0 0 0 17 31 1 6 0 0 0 5 9 1 0 0 0 0 18 32 1 0 0 0 0 6 7 1 0 0 0 0 19 33 1 0 0 0 0 14 15 1 0 0 0 0 33 34 2 0 0 0 0 15 16 1 0 0 0 0 34 35 1 0 0 0 0 16 17 1 0 0 0 0 35 36 2 0 0 0 0 17 13 1 0 0 0 0 36 37 1 0 0 0 0 7 8 1 0 0 0 0 37 38 2 0 0 0 0 38 33 1 0 0 0 0 M END > CHEBI:66021 > hookerianamide I > A steroid alkaloid that is 5α-pregnane substituted by a N-methylamino group at position 20 and a β-N-methylbenzamido group at position 3. Isolated from Sarcococca hookeriana, it exhibits antiplasmodial activity and inhibitory activity against cholinesterase. > 3 > 20(N-methylamino)-3beta-(N-methylbenzamido)-5alpha-pregnane > N-methyl-N-[(3beta,5alpha,20S)-20-(methylamino)pregnan-3-yl]benzamide > C30H46N2O > 450.69900 > 450.36101 > 0 > [H][C@@]12CC[C@@]3([H])[C@]4([H])CC[C@]([H])([C@H](C)NC)[C@@]4(C)CC[C@]3([H])[C@@]1(C)CC[C@@H](C2)N(C)C(=O)c1ccccc1 > InChI=1S/C30H46N2O/c1-20(31-4)25-13-14-26-24-12-11-22-19-23(32(5)28(33)21-9-7-6-8-10-21)15-17-29(22,2)27(24)16-18-30(25,26)3/h6-10,20,22-27,31H,11-19H2,1-5H3/t20-,22-,23-,24-,25+,26-,27-,29-,30+/m0/s1 > NISGMKNSSUMSSN-IBWRYCSWSA-N > 18885921 > 17827771 $$$$