3. 结构
3.1 二维结构
3.2 三维结构
-1
-2
-3
89 95 0 1 0 0 0 0 0999 V2000
-0.8539 0.4665 -0.5921 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.3757 0.3767 -0.1744 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4442 2.9075 -0.6420 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.0900 2.7704 -0.4057 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4367 1.5264 2.0120 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2973 -3.2216 -0.7281 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1307 -5.7820 0.1699 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8827 -3.2814 -0.7705 N 0 0 1 0 0 0 0 0 0 0 0 0
3.4055 4.6802 -0.6552 N 0 0 1 0 0 0 0 0 0 0 0 0
-2.0840 -2.0783 -0.4326 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.8820 -0.7769 -0.3811 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1800 3.2270 -0.8455 C 0 0 2 0 0 0 0 0 0 0 0 0
-4.1473 -3.3250 -0.0288 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2865 -0.8069 -0.2813 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0417 -2.1104 -0.2721 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9024 2.8233 -0.1221 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3135 -2.3200 0.8930 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5502 5.0329 0.7625 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5624 3.4332 1.0945 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3270 4.6299 1.6000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2290 0.4749 -0.4546 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3994 2.3418 -0.4361 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0129 0.3930 -0.2784 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0529 1.8423 -0.6595 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0828 -3.4252 -2.2127 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0977 1.4397 0.0234 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1358 -3.2500 0.7106 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9725 1.6612 -0.4918 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4373 2.9827 1.8010 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3597 1.6179 -0.3871 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5182 5.1999 -1.4448 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3756 1.9726 1.2823 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1829 0.8483 -0.5218 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0173 -2.7852 0.0618 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1740 -4.5716 1.1661 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0454 0.2062 -1.7599 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0974 0.0899 0.6561 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1310 -3.6175 -0.1010 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9264 -5.4115 0.9793 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0764 -4.9382 0.3452 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6298 -1.8886 -0.6364 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7711 -1.1615 -1.8186 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8348 -1.2768 0.6019 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3004 3.3924 -1.9744 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3574 3.3868 0.8511 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6460 2.1280 3.2889 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1060 -5.8232 1.2092 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3414 -1.9517 -1.2330 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9924 3.0751 -1.9178 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9352 -3.4038 1.0444 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6984 -4.2424 -0.2713 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8118 -2.0907 0.5086 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5516 -2.2191 -1.2377 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9730 -2.6952 1.6849 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9202 -1.3791 1.2988 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6841 6.1175 0.8686 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4524 4.5838 1.1943 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6286 5.4775 1.6097 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6444 4.4520 2.6345 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7142 2.5725 0.5882 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2633 2.5807 -1.0693 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2839 1.3931 -1.6227 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6540 -4.3339 -2.4333 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1178 -3.5379 -2.7197 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6040 -2.5737 -2.6625 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2362 3.4794 2.7451 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5282 6.2951 -1.4068 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4082 4.9261 -2.4998 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4920 4.8444 -1.0920 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0278 -1.7648 -0.3127 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0595 -4.9578 1.6638 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1237 0.7737 -2.6836 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2159 0.5643 1.6271 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7076 1.2870 -0.2561 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8789 -6.4388 1.3316 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6369 -1.6432 -2.7831 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7614 -1.8448 1.5249 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2799 3.5365 -2.4407 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6979 2.7039 -2.5756 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7884 4.3577 -1.9330 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4245 3.7021 1.3294 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9033 2.7062 1.5120 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9749 4.2716 0.6741 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8024 1.9487 3.9641 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5192 1.6398 3.7341 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8903 3.1917 3.1964 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6547 -6.1688 2.1447 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5600 -4.8377 1.3531 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8885 -6.5289 0.9170 H 0 0 0 0 0 0 0 0 0 0 0 0
1 21 1 0 0 0 0
1 26 1 0 0 0 0
2 23 1 0 0 0 0
2 74 1 0 0 0 0
3 28 1 0 0 0 0
3 44 1 0 0 0 0
4 30 1 0 0 0 0
4 45 1 0 0 0 0
5 32 1 0 0 0 0
5 46 1 0 0 0 0
6 38 1 0 0 0 0
6 41 1 0 0 0 0
7 40 1 0 0 0 0
7 47 1 0 0 0 0
8 10 1 0 0 0 0
8 13 1 0 0 0 0
8 25 1 0 0 0 0
9 12 1 0 0 0 0
9 18 1 0 0 0 0
9 31 1 0 0 0 0
10 11 1 0 0 0 0
10 17 1 0 0 0 0
10 48 1 0 0 0 0
11 14 2 0 0 0 0
11 21 1 0 0 0 0
12 16 1 0 0 0 0
12 22 1 0 0 0 0
12 49 1 0 0 0 0
13 15 1 0 0 0 0
13 50 1 0 0 0 0
13 51 1 0 0 0 0
14 15 1 0 0 0 0
14 23 1 0 0 0 0
15 52 1 0 0 0 0
15 53 1 0 0 0 0
16 19 1 0 0 0 0
16 24 2 0 0 0 0
17 27 1 0 0 0 0
17 54 1 0 0 0 0
17 55 1 0 0 0 0
18 20 1 0 0 0 0
18 56 1 0 0 0 0
18 57 1 0 0 0 0
19 20 1 0 0 0 0
19 29 2 0 0 0 0
20 58 1 0 0 0 0
20 59 1 0 0 0 0
21 28 2 0 0 0 0
22 33 1 0 0 0 0
22 60 1 0 0 0 0
22 61 1 0 0 0 0
23 30 2 0 0 0 0
24 26 1 0 0 0 0
24 62 1 0 0 0 0
25 63 1 0 0 0 0
25 64 1 0 0 0 0
25 65 1 0 0 0 0
26 32 2 0 0 0 0
27 34 2 0 0 0 0
27 35 1 0 0 0 0
28 30 1 0 0 0 0
29 32 1 0 0 0 0
29 66 1 0 0 0 0
31 67 1 0 0 0 0
31 68 1 0 0 0 0
31 69 1 0 0 0 0
33 36 2 0 0 0 0
33 37 1 0 0 0 0
34 38 1 0 0 0 0
34 70 1 0 0 0 0
35 39 2 0 0 0 0
35 71 1 0 0 0 0
36 42 1 0 0 0 0
36 72 1 0 0 0 0
37 43 2 0 0 0 0
37 73 1 0 0 0 0
38 40 2 0 0 0 0
39 40 1 0 0 0 0
39 75 1 0 0 0 0
41 42 2 0 0 0 0
41 43 1 0 0 0 0
42 76 1 0 0 0 0
43 77 1 0 0 0 0
44 78 1 0 0 0 0
44 79 1 0 0 0 0
44 80 1 0 0 0 0
45 81 1 0 0 0 0
45 82 1 0 0 0 0
45 83 1 0 0 0 0
46 84 1 0 0 0 0
46 85 1 0 0 0 0
46 86 1 0 0 0 0
47 87 1 0 0 0 0
47 88 1 0 0 0 0
47 89 1 0 0 0 0
4. 国际命名与标识
4.1 IUPAC Name
9,20,21,25-tetramethoxy-15,30-dimethyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.114,18.027,31.022,33]hexatriaconta-3(36),4,6(35),8,10,12(34),18(33),19,21,24,26,31-dodecaen-19-ol
4.2 InChl
InChI=1S/C38H42N2O7/c1-39-15-13-24-20-31(43-4)33-21-27(24)28(39)17-22-7-10-25(11-8-22)46-32-19-23(9-12-30(32)42-3)18-29-34-26(14-16-40(29)2)35(41)37(44-5)38(45-6)36(34)47-33/h7-12,19-21,28-29,41H,13-18H2,1-6H3
4.3 InChlKey
UYNHKOIUEXICNQ-UHFFFAOYSA-N
4.4 Canonical SMILES
CN1CCC2=CC(=C3C=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC6C7=C(CCN6C)C(=C(C(=C7O3)OC)OC)O)OC)OC
4.5 lsomeric SMILES
-
4.6 SDF文件
5. 波谱数据
5.1 13C核磁共振谱(13C NMR)
5.2 1H核磁共振谱(1H NMR)
5.3 质谱(MS)
5.4 红外光谱(IR)
5.5 紫外/可见光谱(UV/Vis)
6. 相关药材
| 中文名称 |
英文名称 |
拉丁文名称 |
| 瓣蕊唐松草 |
Petalformed Meadowrue |
Thalictrum petaloideum |
| 冰果唐松草 |
Stalkedfruit Meadowrue |
Thalictrum podocarpum |
| 粗果唐松草 |
Purple Meadowrue |
Thalictrum dasycarpum |
| 大叶唐松草 |
Faber Meadowrue Equivalent plant: Thalictrum acuti |
Thalictrum faberi |
| 分时唐松草 |
Fendler’s Meadowrue |
Thalictrum fendleri |
| 高山唐松草 |
Alpine Meadowrue |
Thalictrum alpinum |
| 金丝马尾连 |
Gold-enthread Meadowrue |
Thalictrum glandulosissimum |
| 橘络 |
Citri Fructus Retinervus |
- |
| 马尾莲 |
root and rhizome of Manyleaf Meadowrue |
Radix et Rhizoma Thalictri |
| 透明唐松草 |
Lucid Meadowrue |
Thalictrum lucidum |
7. 相关靶点
8. 相关疾病
