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Table 4 Predicted solubility and pKa (acid and base) of various Rhazya stricta compounds

From: Cheminformatics studies to analyze the therapeutic potential of phytochemicals from Rhazya stricta

ID Name Solubility LogSW/LogSw LogSw/pH pKa (acid) pKa (base)
1 Akuammidine Soluble −3.32 8.85 14.79 6.88
2 Antirhine Soluble −4.08 9.49 14.72 9.24
3 3-Epi-antirhine Soluble −4.08 9.49 14.72 9.24
4 Aspidosespermidine Soluble −2.34 10.82   9.94
5 Condylocarpine Soluble −3.13 9.36   7.98
6 Dihydrocorynantheol Soluble −4.04 9.57 15.08 9.37
7 Eburnamenine Soluble −4.6 8.92   8.61
8 Eburnamine Soluble −4.39 9.15 14.3  
9 Eburnamonine Soluble −4.4 8.82   8.13
10 Geissoschizine Insoluble −3.64 6.59 4.73 8.25
11 Isositsirikine Soluble −4.1 9.16 14.29 8.49
12 16-Epi-Z-isositsirikine Soluble −4.1 9.16 14.29 8.49
13 leuconolam Soluble −1.83 6.71 11.76 0.36
14 Rhazinilam Highly insoluble −4.47 7   1.21
15 Tetrahydrosecamine Soluble −3.67 8.07 17.43 9.4
16 Presecamine Soluble −5.27 8.48 15.79 8.54
17 Sewarine Soluble −2.98 9.17 11.08 1.95
18 Stemmadenine Soluble −3.63 9.21 11.84 8.08
19 Strictamine Insoluble −4.47 7.7   5.74
20 Strictosamide Soluble −3.26 7 12.79 −1.64
21 Strictosidine Soluble −2.73 10.83 12.81 10.62
22 Tabersonine Soluble −2.99 9.25   7.64
23 Tetrahydroalstonine Soluble −4.4 8.89 18.03 8.27
24 Vallesiachotamine Highly insoluble −5.21 7.45 17.46 6.08
25 Aspidospermiose Soluble −0.19 9.81 10.11 9.88
26 Bhimberine Soluble −4.1 9.16 14.29 8.49
27 Bhimbhrine N-oxide Soluble 0.4 9.66 14.2 5.17
28 Rhazimine Soluble −2.89 8.9   6.51
29 Rhazimanine Soluble −4.1 9.16 14.29 8.49
30 Rhazicine Soluble −1.6 8.94 11.3 6.36
31 Leepacine Soluble −1.84 9.43   6.69
32 2-Methoxy-1,2-dihydrorhazimine Soluble −2.18 9.15   6.3
33 HR-1 Soluble 0.43 8.55 12.69 4.6
34 Vincanicine Soluble −2.67 9.67   8.16
35 Rhazinaline Insoluble −4.14 7.47   5.03
36 Beta-sitosterol Highly insoluble −7.6 7 15.03  
37 Ursolic acid Highly insoluble −6 6.01 15.18  
38 Stigmasterol Highly insoluble −7.52 7 15.03  
39 Oleanolic acid Highly insoluble −6.02 6.04 15.18  
40 Rhazidigenine Soluble −3.2 9.92 12.43 8.82
41 N-methylleuconolam Soluble −1.52 6.55 11.62 0.09
42 (+)-Quebrachamine Soluble −4.15 9.55 17.84 9.74
43 Polyneuridine Soluble −3.2 8.46 17.19 6.11
44 (+)-Vincadiformine Soluble −3.06 10.04   9.33
45 (−)-Vincadifformine Soluble −3.06 10.04   9.33
46 Secamine Soluble −5.12 8.22 17.34 8.71
47 Vincadine Soluble −4.23 9.28 16.98 9.11
48 Bis-strictidine Insoluble −6.11 7.79   7.57
49 3,14-Dehydrorhazigine Highly insoluble −5.89 8.12   10.62
50 16-Hydrorhazisidine Soluble −5.05 8.28 13.98 10.8
51 Rhazisidine Insoluble −5.56 8.2 17.47 8.76
52 Isorhazicine Soluble −1.6 8.94 11.3 6.36
53 Rhazigine Soluble −4.44 7.7 17.45 8.89
54 Strictisidine Soluble −2.18 8.18   4.27
55 Strictamine-N-oxide Soluble −0.67 8.73   4.17
56 Strictigine Soluble −4.07 8.83   7.71
57 Strictine Highly insoluble −4.79 7.36   5.41
58 Stricticine Soluble −3.68 9.33   8.43
59 Strictalamine Insoluble −3.94 8.04   5.87
60 1,2-Dehydroaspidospermidine(eburenine) Soluble −2.84 10.23   9.38
61 Tetrahydrosecodine Soluble −3.85 9.67 16.75 9.33
62 Dihydrosecodine Soluble −3.84 9.44 16.66 8.73
63 Dihydrosecamine Soluble −4.61 8.3 17.43 9.4
64 Dihydropresecamine Soluble −4.78 8.28 15.88 9.16
65 Tetrahydropresecamine Soluble −3.89 8.23 15.88 9.65
66 Rhazinol Insoluble −4.1 8.25 14.53 6.3
67 Rhazimol Insoluble −4.24 7.67 14.53 5.45
68 Rhazidigenine-N-oxide Soluble 0.5 8.35 11.98 49.2
69 (−)16R,21R-omethyleburnamine Soluble −4.93 8.73   8.66
70 Decarbomethoxy-15,20,16,17-tetrahydros Soluble −3.79 9.81 17.83 9.46
71 1-2-Dehydroasidospermidine-N-oxide Soluble −1.2 8.95   4.82
72 Rhazizine Soluble −2.61 9.2   7.31
73 15-Hydroxyvincadifformine Soluble −2.36 9.88 14.4 8.46
74 Dihydroeburnamenine Soluble −4.72 9.06   9.41
75 16s,16’-Decarboxytetra-hydrosecamine Soluble −3.5 7.88 17.43 9.4
76 Nor-C-fluorocurarine Soluble −2.4 9.8   8.14
77 Strictibine Insoluble −3.7 7   1.06
  1. Solubility solubility classifications, LogSW/LogSw ratio of solubility in water vs. intrinsic solubility, LogSw/pH solubility in water at pH 7.0, pKa (acid) pKa in acidic pH, pKa(base) pKa in basic pH