3. 结构
3.1 二维结构
3.2 三维结构
-1
-2
-3
64 69 0 0 0 0 0 0 0999 V2000
-2.6726 -0.0637 0.0259 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6042 0.4470 0.0149 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6113 4.5640 -0.3967 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7294 2.0885 -2.9661 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.0090 3.2821 2.6419 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.5373 0.7177 2.8155 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1811 -1.3006 3.5992 O 0 0 0 0 0 0 0 0 0 0 0 0
7.4373 0.2341 -0.2879 O 0 0 0 0 0 0 0 0 0 0 0 0
5.9321 1.1799 -2.2180 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1315 -6.2286 -1.2716 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1458 2.2285 -0.1845 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9138 1.2297 0.4146 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1384 1.8909 -1.1753 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8774 1.5670 1.3636 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1429 1.2971 -1.6905 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1624 1.6240 -0.7538 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3453 3.5631 0.1696 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4635 1.8330 -2.5285 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0804 2.9021 1.7208 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5229 1.0129 -1.2482 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4153 -1.0783 0.6102 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3105 3.8990 1.1202 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6737 0.4940 1.9784 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8203 1.2382 -3.0462 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4829 1.5062 -3.4652 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3740 -0.8804 1.5290 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0229 0.3660 -0.1944 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8444 0.1407 0.5151 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0790 -2.4287 0.1162 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5829 1.2718 -2.0302 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9396 0.9574 -1.5386 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2589 0.0336 0.3648 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8956 -0.4202 1.7915 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0595 -3.4225 0.0667 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7783 -2.7185 -0.3033 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1282 -0.7534 2.3538 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3071 -0.5269 1.6419 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7413 -4.6982 -0.3992 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4601 -3.9942 -0.7693 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4417 -4.9840 -0.8173 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4731 -1.6176 4.1145 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7837 -6.4527 -1.6833 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4057 1.6805 0.3056 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4686 4.9384 1.3985 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5493 0.9653 -3.8043 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7212 1.4514 -4.5242 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9446 -1.6763 1.9930 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5180 1.7260 -3.0120 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9788 -0.5978 2.3481 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0881 -3.2341 0.3624 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9924 -1.9676 -0.2689 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2924 -0.7660 2.0290 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8932 5.4172 -0.0247 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7568 1.9977 -3.9340 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4787 2.5090 2.9904 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5109 -5.4643 -0.4389 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4314 -4.1484 -1.0766 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2806 0.6276 -1.1599 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0892 -0.7202 4.2371 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9705 -2.3845 3.5110 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3271 -2.0428 5.1129 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0837 -6.3367 -0.8489 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5154 -5.8261 -2.5406 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7159 -7.4940 -2.0149 H 0 0 0 0 0 0 0 0 0 0 0 0
1 12 1 0 0 0 0
1 21 1 0 0 0 0
2 20 1 0 0 0 0
2 28 1 0 0 0 0
3 17 1 0 0 0 0
3 53 1 0 0 0 0
4 18 1 0 0 0 0
4 54 1 0 0 0 0
5 19 1 0 0 0 0
5 55 1 0 0 0 0
6 23 2 0 0 0 0
7 36 1 0 0 0 0
7 41 1 0 0 0 0
8 32 1 0 0 0 0
8 58 1 0 0 0 0
9 31 2 0 0 0 0
10 40 1 0 0 0 0
10 42 1 0 0 0 0
11 12 1 0 0 0 0
11 13 1 0 0 0 0
11 17 2 0 0 0 0
12 14 2 0 0 0 0
13 16 1 0 0 0 0
13 18 2 0 0 0 0
14 19 1 0 0 0 0
14 23 1 0 0 0 0
15 16 2 0 0 0 0
15 20 1 0 0 0 0
15 24 1 0 0 0 0
16 43 1 0 0 0 0
17 22 1 0 0 0 0
18 25 1 0 0 0 0
19 22 2 0 0 0 0
20 30 2 0 0 0 0
21 26 2 0 0 0 0
21 29 1 0 0 0 0
22 44 1 0 0 0 0
23 26 1 0 0 0 0
24 25 2 0 0 0 0
24 45 1 0 0 0 0
25 46 1 0 0 0 0
26 47 1 0 0 0 0
27 28 1 0 0 0 0
27 31 1 0 0 0 0
27 32 2 0 0 0 0
28 33 2 0 0 0 0
29 34 2 0 0 0 0
29 35 1 0 0 0 0
30 31 1 0 0 0 0
30 48 1 0 0 0 0
32 37 1 0 0 0 0
33 36 1 0 0 0 0
33 49 1 0 0 0 0
34 38 1 0 0 0 0
34 50 1 0 0 0 0
35 39 2 0 0 0 0
35 51 1 0 0 0 0
36 37 2 0 0 0 0
37 52 1 0 0 0 0
38 40 2 0 0 0 0
38 56 1 0 0 0 0
39 40 1 0 0 0 0
39 57 1 0 0 0 0
41 59 1 0 0 0 0
41 60 1 0 0 0 0
41 61 1 0 0 0 0
42 62 1 0 0 0 0
42 63 1 0 0 0 0
42 64 1 0 0 0 0
4. 国际命名与标识
4.1 IUPAC Name
5,7-dihydroxy-8-[2-hydroxy-5-(5-hydroxy-7-methoxy-4-oxochromen-2-yl)phenyl]-2-(4-methoxyphenyl)chromen-4-one
4.2 InChl
InChI=1S/C32H22O10/c1-39-17-6-3-15(4-7-17)26-14-25(38)31-23(36)12-22(35)29(32(31)42-26)19-9-16(5-8-20(19)33)27-13-24(37)30-21(34)10-18(40-2)11-28(30)41-27/h3-14,33-36H,1-2H3
4.3 InChlKey
GZTVUTQZSAZUIY-UHFFFAOYSA-N
4.4 Canonical SMILES
COC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)C4=C(C=CC(=C4)C5=CC(=O)C6=C(C=C(C=C6O5)OC)O)O
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 |
| 鸡毛松 |
Imbricate Podocarpus |
Podocarpus imbricatus |
| 罗汉松叶 |
Longleaf Podocarpus Leaf Equivalent plant: Podocar |
Podocarpus macrophyllus |
7. 相关靶点
8. 相关疾病
