4736 -OEChem-09282114023D 48 50 0 1 0 0 0 0 0999 V2000 -5.0699 -1.2918 -1.2051 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6198 0.1170 0.1931 N 0 0 2 0 0 0 0 0 0 0 0 0 -0.8982 1.3331 -0.6951 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0513 1.8913 0.4899 C 0 0 2 0 0 0 0 0 0 0 0 0 0.6742 0.7064 1.1653 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0921 0.6601 -1.6863 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3562 -0.2665 1.7782 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8850 0.2601 -0.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9906 -0.3936 -1.0256 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5969 -0.5016 0.9468 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5955 2.5012 -1.4269 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8470 2.7364 1.4979 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5174 -0.8719 0.7816 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0591 -0.0356 -0.9245 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4946 -1.4959 1.3723 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9388 -1.0309 -0.4939 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6589 -1.7582 0.6561 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6152 -1.2493 -0.1693 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8293 -0.6834 -0.3105 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8865 -1.1133 -1.2877 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2265 0.4865 0.5517 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7172 2.5663 0.0823 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2801 1.1104 1.9879 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7356 1.4319 -2.1319 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4494 0.1929 -2.5194 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6877 0.1517 2.7386 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1096 -1.2284 2.0182 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4181 -1.3076 -0.8257 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7412 -0.6612 -1.7784 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8909 3.3179 -1.6233 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9958 2.1938 -2.3995 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4282 2.9082 -0.8426 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2170 3.0064 2.3523 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1833 3.6723 1.0404 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7310 2.2204 1.8828 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9446 -0.5011 1.7201 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9824 -1.7914 1.0501 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3024 0.5008 -1.8376 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2841 -2.0740 2.2691 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3351 -2.5343 1.0037 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3869 -2.0951 -0.8180 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5600 -2.0084 -0.7666 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1222 -0.2989 -1.9800 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5586 -1.9729 -1.8815 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8007 -1.4010 -0.7589 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6352 1.2876 -0.0744 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0022 0.1810 1.2616 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4055 0.9315 1.1183 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 42 1 0 0 0 0 2 5 1 0 0 0 0 2 9 1 0 0 0 0 2 13 1 0 0 0 0 3 4 1 0 0 0 0 3 6 1 0 0 0 0 3 8 1 0 0 0 0 3 11 1 0 0 0 0 4 5 1 0 0 0 0 4 12 1 0 0 0 0 4 22 1 0 0 0 0 5 7 1 0 0 0 0 5 23 1 0 0 0 0 6 9 1 0 0 0 0 6 24 1 0 0 0 0 6 25 1 0 0 0 0 7 10 1 0 0 0 0 7 26 1 0 0 0 0 7 27 1 0 0 0 0 8 10 2 0 0 0 0 8 14 1 0 0 0 0 9 28 1 0 0 0 0 9 29 1 0 0 0 0 10 15 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 18 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 14 16 2 0 0 0 0 14 38 1 0 0 0 0 15 17 2 0 0 0 0 15 39 1 0 0 0 0 16 17 1 0 0 0 0 17 40 1 0 0 0 0 18 19 2 0 0 0 0 18 41 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 20 43 1 0 0 0 0 20 44 1 0 0 0 0 20 45 1 0 0 0 0 21 46 1 0 0 0 0 21 47 1 0 0 0 0 21 48 1 0 0 0 0 M END > DB00652 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/VOKSWYLNZZRQPF-UHFFFAOYSA-N/SDF?record_type=3d > CC1C2CC3=C(C=C(O)C=C3)C1(C)CCN2CC=C(C)C > InChI=1S/C19H27NO/c1-13(2)7-9-20-10-8-19(4)14(3)18(20)11-15-5-6-16(21)12-17(15)19/h5-7,12,14,18,21H,8-11H2,1-4H3 > VOKSWYLNZZRQPF-UHFFFAOYSA-N > C19H27NO > 285.431 > 285.209264493 > 2 > 48 > 0.999999999677143 > 33.97006457830938 > 1 > 1 > 0 > 1 > 1,13-dimethyl-10-(3-methylbut-2-en-1-yl)-10-azatricyclo[7.3.1.0^{2,7}]trideca-2(7),3,5-trien-4-ol > 4.44 > 3.8936200460770922 > -3.37 > 0 > 1 > 3 > 1 > 10.42161974255917 > 9.570601535132962 > 23.47 > 89.7993 > 2 > 1 > 1.22e-01 g/l > 1,13-dimethyl-10-(3-methylbut-2-en-1-yl)-10-azatricyclo[7.3.1.0^{2,7}]trideca-2(7),3,5-trien-4-ol > 1 $$$$