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Table 6 Surface related and ring-related properties of Rhazya stricta compounds

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

ID Name CR NR NOR HetR #R Para Ind.Ref Sur.Ten Density Polar.
1 Akuammidine 0.81 0.08 0.19 0.19 6 743.43 1.68 65.34 1.35 39.32
2 Antirhine 0.86 0.09 0.14 0.14 4 676.25 1.65 56.53 1.2 35.76
3 3-Epi-antirhine 0.86 0.09 0.14 0.14 4 676.25 1.65 56.53 1.2 35.76
4 Aspidosespermidine 0.9 0.1 0.1 0.1 5 647.87 1.63 50.04 1.16 34.2
5 Condylocarpine 0.83 0.08 0.17 0.17 5 681.18 1.66 56.36 1.3 36.43
6 Dihydrocorynantheol 0.86 0.09 0.14 0.14 4 687.1 1.64 55.86 1.19 35.85
7 Eburnamenine 0.9 0.1 0.1 0.1 5 589.57 1.7 49.78 1.25 33.94
8 Eburnamine 0.86 0.09 0.14 0.14 5 595.24 1.72 54.34 1.35 34.28
9 Eburnamonine 0.86 0.09 0.14 0.14 5 595.24 1.72 54.34 1.34 34.28
10 Geissoschizine 0.81 0.08 0.19 0.19 4 762.54 1.66 61.38 1.29 40.01
11 Isositsirikine 0.81 0.08 0.19 0.19 4 776.63 1.64 59.3 1.27 40.13
12 16-Epi-Z-isositsirikine 0.81 0.08 0.19 0.19 4 776.63 1.64 59.3 1.27 40.13
13 Leuconolam 0.79 0.08 0.21 0.21 4 692.66 1.65 63.34 1.33 35.61
14 Rhazinilam 0.86 0.09 0.14 0.14 4 635.67 1.65 47.86 1.22 34.93
15 Tetrahydrosecamine 0.84 0.08 0.16 0.16 7 1449.04 1.63 46.81 1.23 78.28
16 Presecamine 0.84 0.08 0.16 0.16 7 1516.34 1.65 60.13 1.24 78.73
17 Sewarine 0.8 0.08 0.2 0.2 5 696.4 1.69 64.76 1.38 37.04
18 Stemmadenine 0.81 0.08 0.19 0.19 5 729.69 1.64 47.88 1.28 39.55
19 Strictamine 0.83 0.08 0.17 0.17 5 631.14 1.71 52.17 1.37 36.23
20 Strictosamide 0.72 0.06 0.28 0.28 6 986.67 1.72 84.28 1.53 50.75
21 Strictosidine 0.71 0.05 0.29 0.29 5 1078.5 1.66 74.07 1.44 54
22 Tabersonine 0.84 0.08 0.16 0.16 5 723.31 1.65 55.72 1.27 38.37
23 Tetrahydroalstonine 0.81 0.08 0.19 0.19 5 748.43 1.66 58.69 1.3 39.39
24 Vallesiachotamine 0.81 0.08 0.19 0.19 4 754.43 1.65 59.07 1.29 39.54
25 Aspidospermiose 0.77 0.06 0.23 0.23 6 885.22 1.68 74 1.42 45.19
26 Bhimberine 0.81 0.08 0.19 0.19 4 776.63 1.64 59.3 1.27 40.13
27 Bhimbhrine N-oxide 0.78 0.07 0.22 0.22 4       45.12
28 Rhazimine 0.81 0.08 0.19 0.19 6 690.3 1.69 54.96 1.38 38.6
29 Rhazimanine 0.81 0.08 0.19 0.19 4 776.63 1.64 59.3 1.27 40.13
30 Rhazicine 0.78 0.07 0.22 0.22 6 757.54 1.66 64.83 1.38 39.13
31 Leepacine 0.81 0.08 0.19 0.19 7 709 1.68 63.18 1.39 37.7
32 2-Methoxy-1,2-dihydrorhazimine 0.79 0.07 0.21 0.21 6 800.93 1.63 56.72 1.31 41.05
33 HR-1 0.78 0.07 0.22 0.22 4      
34 Vincanicine 0.83 0.08 0.17 0.17 5 683.12 1.66 57.29 1.3 36.52
35 Rhazinaline 0.81 0.08 0.19 0.19 5 690.3 1.69 54.96 1.38 38.6
36 Beta-sitosterol 0.97 0 0.03 0.03 4 1051.02 1.52 37.64 0.98 51.22
37 Ursolic acid 0.91 0 0.09 0.09 5 1076.71 1.56 45 1.1 52.93
38 Stigmasterol 0.97 0 0.03 0.03 4 1038.63 1.53 38.25 0.99 51.19
39 Oleanolic acid 0.91 0 0.09 0.09 5 1077.07 1.56 45.41 1.1 52.95
40 Rhazidigenine 0.86 0.09 0.14 0.14 4 650.55 1.64 48.09 1.21 35.15
41 N-methylleuconolam 0.8 0.08 0.2 0.2 4 730.79 1.65 61.9 1.31 37.53
42 (+)-Quebrachamine 0.9 0.1 0.1 0.1 4 672.49 1.62 50.29 1.12 35.27
43 Polyneuridine 0.81 0.08 0.19 0.19 6 735.31 1.67 62.83 1.34 38.85
44 (+)-Vincadiformine 0.84 0.08 0.16 0.16 5 735.7 1.63 53.98 1.25 38.4
45 (-)-Vincadifformine 0.84 0.08 0.16 0.16 5 735.7 1.63 53.98 1.25 38.4
46 Secamine 0.84 0.08 0.16 0.16 7 1449.04 1.63 46.81 1.22 78.28
47 Vincadine 0.84 0.08 0.16 0.16 4 776.11 1.61 52.34 1.18 39.67
48 Bis-strictidine 0.9 0.1 0.1 0.1 9 1150.88 1.73 52.95 1.31 67.18
49 3,14-Dehydrorhazigine 0.87 0.09 0.13 0.13 7 1340.13 1.64 46.53 1.2 73.46
50 16-Hydrorhazisidine 0.85 0.09 0.15 0.15 7 1345.28 1.65 48.02 1.24 73.94
51 Rhazisidine 0.87 0.09 0.13 0.13 8 1284.82 1.68 49.12 1.27 72.59
52 Isorhazicine 0.78 0.07 0.22 0.22 6 757.54 1.66 64.83 1.38 39.13
53 Rhazigine 0.87 0.09 0.13 0.13 7 1412.62 1.65 58.36 1.21 74.23
54 Strictisidine 0.81 0.08 0.19 0.19 7 635.5 1.78 63.63 1.55 37.59
55 Strictamine-N-oxide 0.8 0.08 0.2 0.2 5      
56 Strictigine 0.9 0.1 0.1 0.1 5 622.49 1.63 42.69 1.14 34.52
57 Strictine 0.8 0.08 0.2 0.2 5 636.29 1.73 55.79 1.44 36.71
58 Stricticine 0.8 0.08 0.2 0.2 6 682.41 1.68 61.46 1.39 36.43
59 Strictalamine 0.86 0.09 0.14 0.14 5 580.88 1.74 55.15 1.37 33.92
60 1,2-Dehydroaspidospermidine 0.9 0.1 0.1 0.1 5 590.09 1.7 50.6 1.27 33.8
61 Tetrahydrosecodine 0.84 0.08 0.16 0.16 3 807.26 1.56 42.67 1.08 40.69
62 Dihydrosecodine 0.84 0.08 0.16 0.16 3 793.18 1.58 44.47 1.11 40.53
63 Dihydrosecamine 0.84 0.08 0.16 0.16 7 1449.04 1.63 46.81 1.23 78.28
64 Dihydropresecamine 0.84 0.08 0.16 0.16 7 1530.43 1.64 59.1 1.23 78.84
65 Tetrahydropresecamine 0.84 0.08 0.16 0.16 7 1544.52 1.63 58.11 1.22 78.96
66 Rhazinol 0.86 0.09 0.14 0.14 5 580.88 1.74 55.15 1.38 33.92
67 Rhazimol 0.81 0.08 0.19 0.19 5 690.3 1.69 54.96 1.39 38.6
68 Rhazidigenine-N-oxide 0.83 0.09 0.17 0.17 4      
69 (-)16R,21R-omethyleburnamine 0.87 0.09 0.13 0.13 5 639.83 1.67 47.55 1.27 36.25
70 Decarbomethoxy-15,20,16,17-tetrahydros 0.9 0.1 0.1 0.1 3 703.65 1.57 40.68 1.02 36.31
71 1-2-Dehydroasidospermidine-N-oxide 0.86 0.09 0.14 0.14 5      
72 Rhazizine 0.78 0.07 0.22 0.22 6 744.62 1.67 62.43 1.39 39.14
73 15-Hydroxyvincadifformine 0.81 0.08 0.19 0.19 5 750.68 1.65 60.33 1.32 39
74 Dihydroeburnamenine 0.9 0.1 0.1 0.1 5 589.57 1.7 49.78 1.26 33.94
75 16s,16′-Decarboxytetra-hydrosecamine 0.87 0.09 0.13 0.13 7 1339.61 1.64 46.2 1.21 73.6
76 Nor-C-fluorocurarine 0.86 0.09 0.14 0.14 5 624.5 1.68 57.83 1.29 33.99
77 Strictibine 0.81 0.06 0.19 0.19 3 442.8 1.65 51.74 1.29 23.76
  1. Ind Ref refractive index, Para parachor, Sur ten surface tension, Polar polarizability, #R number of rings, CR ratio of carbons, NR ratio of nitrogens, NOR ratio of oxygens, HetR ratio of heteroatoms