2-(2-chloro-phenyl)-5,7-dihydroxy-8-(3-hydroxy-1-methyl-piperidin-4-yl)-4h-benzopyran-4-one (CPB) Summary
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- 2-(2-chloro-phenyl)-5,7-dihydroxy-8-(3-hydroxy-1-methyl-piperidin-4-yl)-4h-benzopyran-4-one (CPB) Summary
- Dihedrals
Dihedrals Table

Dih. | Atom names | Experimental | Type |
---|---|---|---|
1 | C1.1-N1.2-C16.3-C15.43-2-1-0 C1.4-N1.3-C16.2-C15.1 | -178.486 | Rigid |
2 | C1.1-N1.2-C12.7-C13.65-6-1-0 C1.6-N1.7-C12.2-C13.1 | 177.201 | Rigid |
3 | N1.2-C16.3-C15.4-C14.54-3-2-1 N1.5-C16.4-C15.3-C14.2 | -54.816 | Rigid Ring |
4 | N1.2-C12.7-C13.6-C14.54-5-6-1 N1.5-C12.6-C13.7-C14.2 | 58.076 | Rigid Ring |
5 | N1.2-C12.7-C13.6-O3.2827-5-6-1 N1.28-C12.6-C13.7-O3.2 | -62.756 | Rigid |
6 | C16.3-N1.2-C12.7-C13.65-6-1-2 C16.6-N1.7-C12.2-C13.3 | -62.797 | Rigid Ring |
7 | C16.3-C15.4-C14.5-C13.65-4-3-2 C16.6-C15.5-C14.4-C13.3 | 51.938 | Rigid Ring |
8 | C16.3-C15.4-C14.5-C8.87-4-3-2 C16.8-C15.5-C14.4-C8.3 | -178.627 | Rigid |
9 | C15.4-C16.3-N1.2-C12.76-1-2-3 C15.7-C16.2-N1.3-C12.4 | 61.366 | Rigid Ring |
10 | C15.4-C14.5-C13.6-C12.76-5-4-3 C15.7-C14.6-C13.5-C12.4 | -54.009 | Rigid Ring |
11 | C15.4-C14.5-C13.6-O3.2827-5-4-3 C15.28-C14.6-C13.5-O3.4 | 65.187 | Rigid |
12 | C15.4-C14.5-C8.8-C9.98-7-4-3 C15.9-C14.8-C8.5-C9.4 | 111.785 | Rigid |
13 | C15.4-C14.5-C8.8-C7.1918-7-4-3 C15.19-C14.8-C8.5-C7.4 | -67.558 | Rigid |
14 | C14.5-C8.8-C9.9-O1.109-8-7-4 C14.10-C8.9-C9.8-O1.5 | 0.772 | Rigid |
15 | C14.5-C8.8-C9.9-C10.1514-8-7-4 C14.15-C8.9-C9.8-C10.5 | -179.161 | Rigid |
16 | C14.5-C8.8-C7.19-C6.1817-18-7-4 C14.18-C8.19-C7.8-C6.5 | -179.899 | Rigid |
17 | C14.5-C8.8-C7.19-O7.2019-18-7-4 C14.20-C8.19-C7.8-O7.5 | -0.626 | Rigid |
18 | C13.6-C14.5-C8.8-C9.98-7-4-5 C13.9-C14.8-C8.5-C9.6 | -120.114 | Rigid |
19 | C13.6-C14.5-C8.8-C7.1918-7-4-5 C13.19-C14.8-C8.5-C7.6 | 60.543 | Rigid |
20 | C12.7-C13.6-C14.5-C8.87-4-5-6 C12.8-C13.5-C14.6-C8.7 | 177.857 | Rigid |
21 | C8.8-C14.5-C13.6-O3.2827-5-4-7 C8.28-C14.6-C13.5-O3.8 | -62.947 | Rigid |
22 | C8.8-C9.9-O1.10-C2.1110-9-8-7 C8.11-C9.10-O1.9-C2.8 | 177.865 | Rigid Ring |
23 | C8.8-C9.9-C10.15-C4.1312-14-8-7 C8.13-C9.15-C10.9-C4.8 | -178.961 | Rigid Ring |
24 | C8.8-C9.9-C10.15-C5.1615-14-8-7 C8.16-C9.15-C10.9-C5.8 | -1.34 | Rigid Ring |
25 | C8.8-C7.19-C6.18-C5.1615-17-18-7 C8.16-C7.18-C6.19-C5.8 | -0.625 | Rigid Ring |
26 | C9.9-C8.8-C7.19-C6.1817-18-7-8 C9.18-C8.19-C7.8-C6.9 | 0.767 | Rigid Ring |
27 | C9.9-C8.8-C7.19-O7.2019-18-7-8 C9.20-C8.19-C7.8-O7.9 | -179.96 | Rigid |
28 | C9.9-O1.10-C2.11-C3.1211-10-9-8 C9.12-O1.11-C2.10-C3.9 | 1.6 | Flexible Ring |
29 | C9.9-O1.10-C2.11-C21.2120-10-9-8 C9.21-O1.11-C2.10-C21.9 | -177.102 | Rigid |
30 | C9.9-C10.15-C4.13-C3.1211-12-14-8 C9.12-C10.13-C4.15-C3.9 | 0.575 | Rigid Ring |
31 | C9.9-C10.15-C4.13-O4.1413-12-14-8 C9.14-C10.13-C4.15-O4.9 | 179.526 | Rigid |
32 | C9.9-C10.15-C5.16-O5.1716-15-14-8 C9.17-C10.16-C5.15-O5.9 | -179.023 | Rigid |
33 | C9.9-C10.15-C5.16-C6.1817-15-14-8 C9.18-C10.16-C5.15-C6.9 | 1.487 | Rigid Ring |
34 | O1.10-C9.9-C8.8-C7.1918-7-8-9 O1.19-C9.8-C8.9-C7.10 | -179.852 | Rigid Ring |
35 | O1.10-C9.9-C10.15-C4.1312-14-8-9 O1.13-C9.15-C10.9-C4.10 | 1.108 | Rigid Ring |
36 | O1.10-C9.9-C10.15-C5.1615-14-8-9 O1.16-C9.15-C10.9-C5.10 | 178.729 | Rigid Ring |
37 | O1.10-C2.11-C3.12-C4.1312-11-10-9 O1.13-C2.12-C3.11-C4.10 | 0.076 | Rigid Ring |
38 | O1.10-C2.11-C21.21-C22.2221-20-10-9 O1.22-C2.21-C21.11-C22.10 | -34.024 | Flexible |
39 | O1.10-C2.11-C21.21-C26.2726-20-10-9 O1.27-C2.21-C21.11-C26.10 | 144.444 | Flexible |
40 | C2.11-O1.10-C9.9-C10.1514-8-9-10 C2.15-O1.9-C9.10-C10.11 | -2.202 | Rigid Ring |
41 | C2.11-C3.12-C4.13-O4.1413-12-11-10 C2.14-C3.13-C4.12-O4.11 | 179.872 | Rigid |
42 | C2.11-C3.12-C4.13-C10.1514-12-11-10 C2.15-C3.13-C4.12-C10.11 | -1.16 | Rigid Ring |
43 | C2.11-C21.21-C22.22-CL1.2322-21-20-10 C2.23-C21.22-C22.21-CL1.11 | -1.197 | Rigid |
44 | C2.11-C21.21-C22.22-C23.2423-21-20-10 C2.24-C21.22-C22.21-C23.11 | 179.25 | Rigid |
45 | C2.11-C21.21-C26.27-C25.2625-26-20-10 C2.26-C21.27-C26.21-C25.11 | -179.369 | Rigid |
46 | C3.12-C2.11-C21.21-C22.2221-20-10-11 C3.22-C2.21-C21.11-C22.12 | 147.264 | Flexible |
47 | C3.12-C2.11-C21.21-C26.2726-20-10-11 C3.27-C2.21-C21.11-C26.12 | -34.268 | Flexible |
48 | C3.12-C4.13-C10.15-C5.1615-14-12-11 C3.16-C4.15-C10.13-C5.12 | -177.015 | Rigid Ring |
49 | C4.13-C3.12-C2.11-C21.2120-10-11-12 C4.21-C3.11-C2.12-C21.13 | 178.784 | Rigid |
50 | C4.13-C10.15-C5.16-O5.1716-15-14-12 C4.17-C10.16-C5.15-O5.13 | -1.449 | Rigid |
51 | C4.13-C10.15-C5.16-C6.1817-15-14-12 C4.18-C10.16-C5.15-C6.13 | 179.061 | Rigid Ring |
52 | O4.14-C4.13-C10.15-C5.1615-14-12-13 O4.16-C4.15-C10.13-C5.14 | 1.936 | Rigid |
53 | C10.15-C9.9-C8.8-C7.1918-7-8-14 C10.19-C9.8-C8.9-C7.15 | 0.215 | Rigid Ring |
54 | C10.15-C5.16-C6.18-C7.1918-17-15-14 C10.19-C5.18-C6.16-C7.15 | -0.512 | Rigid Ring |
55 | C5.16-C6.18-C7.19-O7.2019-18-17-15 C5.20-C6.19-C7.18-O7.16 | -179.936 | Rigid |
56 | O5.17-C5.16-C6.18-C7.1918-17-15-16 O5.19-C5.18-C6.16-C7.17 | 179.982 | Rigid |
57 | C21.21-C22.22-C23.24-C24.2524-23-21-20 C21.25-C22.24-C23.22-C24.21 | -0.306 | Rigid Ring |
58 | C21.21-C26.27-C25.26-C24.2524-25-26-20 C21.25-C26.26-C25.27-C24.21 | 0.392 | Rigid Ring |
59 | C22.22-C21.21-C26.27-C25.2625-26-20-21 C22.26-C21.27-C26.21-C25.22 | -0.836 | Rigid Ring |
60 | C22.22-C23.24-C24.25-C25.2625-24-23-21 C22.26-C23.25-C24.24-C25.22 | -0.151 | Rigid Ring |
61 | CL1.23-C22.22-C21.21-C26.2726-20-21-22 CL1.27-C22.21-C21.22-C26.23 | -179.653 | Rigid |
62 | CL1.23-C22.22-C23.24-C24.2524-23-21-22 CL1.25-C22.24-C23.22-C24.23 | -179.879 | Rigid |
63 | C23.24-C22.22-C21.21-C26.2726-20-21-23 C23.27-C22.21-C21.22-C26.24 | 0.794 | Rigid Ring |
64 | C23.24-C24.25-C25.26-C26.2726-25-24-23 C23.27-C24.26-C25.25-C26.24 | 0.109 | Rigid Ring |
Dihedrals Histogram


