Identification of “Multiple Components-Multiple Targets-Multiple Pathways” Associated with Naoxintong Capsule in the Treatment of Heart Diseases Using UPLC/Q-TOF-MS and Network Pharmacology
Table 3
Absorption parameters of the components.
Number
Compounds
MW
ON
OHNH
miLogP
Results
1
Arginine
174.204
6
7
−3.632
✕
2
Valine
117.15
3
3
−1.91
√
3
Proline
115.132
3
2
−1.723
√
4
Malic acid
134.087
5
3
−1.57
√
5
Citric acid
192.123
7
4
−1.983
√
6
D-5-oxoproline
129.115
4
2
−2.402
√
7
L-5-oxoproline
129.115
4
2
−2.402
√
8
Succinic acid
118.088
4
2
−0.655
√
9
ρ-Coumaric acid
164.160
3
2
1.43
√
10
o-Phthalic acid
166.132
4
2
1.034
√
11
Adenosine
267.245
9
5
−0.854
√
12
Leucine
131.175
3
3
−1.382
√
13
Isoleucine
131.175
3
3
−1.41
√
14
Gallic acid
170.120
5
4
0.589
√
15
Phenylalanine
165.192
3
3
−1.231
√
16
Danshensu
198.174
5
4
−0.251
√
17
Palmitic acid
256.43
2
1
7.059
✕
18
Senkyunolide B
204.225
3
1
2.81
√
19
Senkyunolide C
204.225
3
1
2.574
√
20
Protocatechuic aldehyde
138.122
3
2
0.759
√
21
Mulberroside A
568.528
14
10
−0.852
√
22
Gallicin
184.147
5
3
0.848
√
23
Hydroxysafflor yellow A
612.54
16
12
−4.12
√
24
7-Hydroxycoumarin
162.144
3
1
1.511
√
25
Vanillic acid
168.148
4
2
1.187
√
26
Benzoic acid
122.123
2
1
1.848
√
27
Epicatechin
290.271
6
5
1.369
√
28
Catechin
290.271
6
5
1.369
√
29
Albiflorin
480.466
11
5
−1.636
✕
30
Quercetin-7-O-glucoside
464.379
12
8
−0.104
✕
31
Rutin
610.521
16
10
−1.063
√
32
Calycosin
284.267
5
2
2.377
√
33
Calycosin-7-O-glucoside
446.408
10
5
0.59
√
34
Ferulic acid
194.186
4
2
1.249
√
35
Paeoniflorin
480.466
11
5
0.044
✕
36
Pentagalloylglucose
940.681
26
15
2.761
√
37
Kaempferol-3-O-rutinoside
594.522
15
9
−0.574
√
38
3,5-Di-O-caffeoylquinic acid
516.455
12
7
1.424
✕
39
Dicaffeoylquinic acid
516.46
12
7
1.21
✕
40
Z-Butylidenephthalide
188.226
2
0
3.077
√
41
Salvianolic acid A
494.452
10
7
3.014
✕
42
4-Hydroxyl-3-butylphthalide
206.241
3
1
3.42
√
43
Salvianolic acid B
718.620
16
9
1.615
✕
44
Ononin
430.409
9
4
1.307
√
45
Senkyunolide F
206.24
3
1
1.72
√
46
Salvianolic acid E
718.62
16
10
2.83
✕
47
Biochanin A
284.267
5
2
2.804
√
48
(6aR,11aR)-3-Hydroxy-9,10-dimethoxy pterocarpan
300.31
5
1
2.546
√
49
N1-N5-(Z)-N10-(E)-tri-p-coumaroylspermidine
538.68
9
5
4.3
✕
50
Benzoylpaeoniflorin
584.574
12
4
2.472
✕
51
Pratensein
300.27
6
3
2.09
√
52
Hydroxyl calendic acid
294.435
3
2
4.93
√
53
Trans-Oxyresveratrol
244.246
4
4
2.723
√
54
Formononetin
268.268
4
1
3.095
√
55
Astragaloside IV
784.98
14
9
1.21
√
56
Senkyunolide H
220.224
4
2
2.314
√
57
Astragaloside II
827.02
15
8
1.91
√
58
Soyasaponin I
943.13
18
11
1.7
✕
59
Methyl tanshinonate
338.36
5
0
0.93
√
60
Carnosic acid
332.440
4
3
4.603
√
61
Kaempferol-3-O-glucoside
448.380
11
7
0.125
✕
62
Hydroxytanshinone IIA
310.35
4
1
3.24
√
63
3-Butylidene-7-hydroxyphthalide
204.225
3
1
2.81
√
64
Tanshinone II-B
310.35
4
1
2.97
√
65
Senkyunolide A
192.258
2
0
3.521
√
66
Salvianolic acid F
314.29
6
5
2.33
√
67
Kumatakenin
314.29
6
2
2.98
√
68
3-n-Butylphthalide
190.242
2
0
3.483
√
69
(Z)-Ligustilide
190.242
2
0
2.927
√
70
(E)-Ligustilide
190.242
2
0
2.927
√
71
Trijuganone B
280.32
3
1
3.9
√
72
Cryptotanshinone
296.366
3
0
3.83
√
73
Senkyunolide M
278.35
4
1
2.55
√
74
O-Phthalic anhydride
148.12
3
0
0.93
√
75
Chlorogenic acid
354.311
9
6
−0.453
✕
76
Tanshinone IIA
294.350
3
0
4.158
√
77
Angelicide
380.48
4
0
5.73
✕
78
Carthamidin
288.255
6
4
1.649
√
79
Linoleic acid
280.45
2
1
6.86
✕
80
Acetyl-11-keto-β-boswellic acid
512.73
5
1
6.39
✕
81
Oleanolic acid
456.71
3
2
6.72
✕
Note. “√” means that component could be absorbed; “✕” means that component could not be absorbed. “a” refers to the component has been verified by standard substance.