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. Author manuscript; available in PMC: 2008 Feb 15.
Published in final edited form as: Bioorg Med Chem. 2006 Nov 29;15(4):1749–1770. doi: 10.1016/j.bmc.2006.11.037

Table 7.

Characteristics of rigid submolecules of the polyphenols and their contributions to antioxidant activity in the BM phagocyte assay system*

Submolecule RX HX Wjl Submolecule RX HX Wjl Submolecule RX HX Wjl
graphic file with name nihms17160t59.jpg 26.38 1.60 1.63 graphic file with name nihms17160t60.jpg 77.73
48.15
43.01
45.97
−4.25
1.77
1.57
1.30
−0.02
−1.29
−2.25
−2.29
graphic file with name nihms17160t61.jpg 31.52 1.80 −0.80
graphic file with name nihms17160t62.jpg 24.86 1.66 0.83 graphic file with name nihms17160t63.jpg 26.38
24.86
27.90
31.52
1.60
1.66
1.55
1.80
−0.22
−0.50
−0.70
−1.40
graphic file with name nihms17160t64.jpg 26.38
33.04
1.60
1.75
−0.95
−1.13
graphic file with name nihms17160t65.jpg 24.86
26.38
27.90
29.42
1.66
1.60
1.56
1.50
0.77
0.64
−0.18
−0.23
graphic file with name nihms17160t66.jpg 27.90
31.52
26.38
1.55
1.80
1.60
−0.27
−0.28
−0.28
graphic file with name nihms17160t67.jpg 5.51 −0.07 −1.21
graphic file with name nihms17160t68.jpg 31.52 1.80 0.37 graphic file with name nihms17160t69.jpg 44.53 0.76 −0.28 graphic file with name nihms17160t70.jpg 44.53
43.01
44.74
43.34
0.76
0.82
1.71
1.06
−1.31
−1.39
−1.84
−1.90
graphic file with name nihms17160t71.jpg 26.38
27.90
1.60
1.55
0.33
−0.90
CH3−X 6 fragmentsa 67.50
65.32
70.87
102.2
3.49
2.35
2.88
−2.32
−0.41
−0.41
−0.42
−0.42
graphic file with name nihms17160t72.jpg 43.01
41.49
1.57
0.80
−1.64
−2.02
graphic file with name nihms17160t73.jpg 33.04 1.75 0.31 graphic file with name nihms17160t74.jpg 35.01 2.42 −0.50 graphic file with name nihms17160t75.jpg 26.38 1.64 −1.66
graphic file with name nihms17160t76.jpg 76.21
79.25
49.01
43.01
−4.20
−5.06
0.80
1.57
0.03
−0.08
−0.97
−1.00
graphic file with name nihms17160t77.jpg 43.01
40.30
1.57
1.17
−0.54
−1.10
graphic file with name nihms17160t78.jpg 27.90
74.13
1.50
2.03
−1.75
−2.09
graphic file with name nihms17160t79.jpg 41.70 1.82 −0.76 graphic file with name nihms17160t80.jpg 74.13 2.03 −2.09
Submolecule RX HX RY HY Wjl Submolecule RX HX RY HY Wjl
graphic file with name nihms17160t81.jpg 24.86 1.66 5.51 −0.07 1.56 graphic file with name nihms17160t82.jpg 85.95
39.97
0.21
1.68
5.51
5.51
−0.07
−0.07
−0.49
−1.24
graphic file with name nihms17160t83.jpg 27.90 1.55 5.51 −0.07 0.26 graphic file with name nihms17160t84.jpg 24.86
27.90
31.52
1.66
1.55
1.80
5.51
33.57
33.57
−0.07
−6.03
−6.03
−0.58
−1.85
−2.34
graphic file with name nihms17160t85.jpg 27.90 1.55 26.38 1.60 0.00 graphic file with name nihms17160t86.jpg 43.34 1.06 5.51 −0.07 −1.02
graphic file with name nihms17160t87.jpg 76.21
43.01
43.01
41.49
−4.20
1.57
1.07
1.13
5.51
5.51
5.51
5.51
−0.07
−0.07
−0.07
−0.07
−0.10
−1.02
−1.02
−1.05
graphic file with name nihms17160t88.jpg 41.49 0.87 5.51 −0.07 −1.08
graphic file with name nihms17160t89.jpg 24.86 1.66 5.51 0.61 −0.19 graphic file with name nihms17160t90.jpg 27.90 1.55 33.57 −6.03 −1.25
graphic file with name nihms17160t91.jpg 24.86 1.66 33.57 −6.03 −0.41 graphic file with name nihms17160t92.jpg 26.38 1.60 5.51 −0.07 −1.50
Submolecule RX HX RY HY RZ HZ Wjl
graphic file with name nihms17160t93.jpg 33.04 1.75 7.03 −0.74 44.86 −0.07 0.16
*

Submolecules with one (X), two (X and Y), and three (X, Y, and Z) substitutions are represented separately.

a

Selected fragments of each type with minimal and maximal Wjl values are presented.