Ketcher 05261614382D 1 1.00000 0.00000 0 24 25 0 0 0 999 V2000 14.2686 -11.9322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4002 -12.4263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5455 -11.9322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6771 -12.4263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8088 -11.9322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9404 -12.4263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9404 -13.4282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8088 -13.9291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6771 -13.4282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2876 -10.9333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1299 -12.4441 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.0042 -11.9536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8655 -12.4655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8527 -13.4680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7400 -11.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5455 -13.9291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5455 -14.9311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4003 -15.4323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4002 -13.4282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2686 -13.9291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2686 -14.9311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2238 -15.2385 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8118 -14.4301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2238 -13.6220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 12 13 1 0 0 0 6 7 1 0 0 0 13 14 1 0 0 0 3 4 1 0 0 0 13 15 1 0 0 0 7 8 1 0 0 0 9 16 1 0 0 0 16 17 2 0 0 0 8 9 1 0 0 0 17 18 1 0 0 0 18 21 2 0 0 0 4 5 2 0 0 0 20 19 2 0 0 0 19 16 1 0 0 0 20 21 1 0 0 0 1 10 2 0 0 0 2 3 2 0 0 0 1 11 1 0 0 0 5 6 1 0 0 0 11 12 1 0 0 0 21 22 1 0 0 0 22 23 1 0 0 0 23 24 1 0 0 0 24 20 1 0 0 0 M END > CHEBI:69685 > pipercallosine > An alkaloid enamide that is (2E,4E)-N-(2-methylpropyl)nona-2,4-dienamide substituted at position 9 by a 1,3-benzodioxol-5-yl group. Isolated from Piper sarmentosum, it has been found to induce apoptosis in HT-29 cells. > 3 > (2E,4E)-9-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)nona-2,4-dienamide > C20H27NO3 > 329.434 > 329.19909 > 0 > C(/C=C/C=C/CCCCC1=CC=C2C(=C1)OCO2)(=O)NCC(C)C > InChI=1S/C20H27NO3/c1-16(2)14-21-20(22)10-8-6-4-3-5-7-9-17-11-12-18-19(13-17)24-15-23-18/h4,6,8,10-13,16H,3,5,7,9,14-15H2,1-2H3,(H,21,22)/b6-4+,10-8+ > KXYVTCVLCVPQKR-ONNLMXTPSA-N > 5596775 > 21158422; 21973101 $$$$