3. 结构
3.1 二维结构
3.2 三维结构
-1
-2
-3
30 32 0 0 0 0 0 0 0999 V2000
-0.7199 0.0451 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7200 0.0449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4121 -1.1942 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4125 -1.1941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5155 1.2183 -0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5152 1.2182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6954 -2.3935 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6956 -2.3935 -0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9121 1.1702 -0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9119 1.1704 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8171 -1.2283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8174 -1.2280 0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5630 -0.0536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5631 -0.0533 0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7020 2.4355 0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7014 2.4359 -0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0497 2.2010 0.0017 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0494 2.2009 0.0015 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2138 -3.3505 -0.0002 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2140 -3.3507 -0.0002 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3472 -2.1791 0.0006 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3476 -2.1788 0.0008 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6479 -0.1111 0.0021 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6480 -0.1106 0.0024 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2486 3.1773 -0.6656 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7259 2.2708 -0.3521 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7479 2.8491 1.0130 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7304 2.2686 -0.3368 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2567 3.1705 -0.6805 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7330 2.8597 1.0082 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
1 3 2 0 0 0 0
1 5 1 0 0 0 0
2 4 2 0 0 0 0
2 6 1 0 0 0 0
3 7 1 0 0 0 0
3 11 1 0 0 0 0
4 8 1 0 0 0 0
4 12 1 0 0 0 0
5 9 2 0 0 0 0
5 17 1 0 0 0 0
6 10 2 0 0 0 0
6 18 1 0 0 0 0
7 8 2 0 0 0 0
7 19 1 0 0 0 0
8 20 1 0 0 0 0
9 13 1 0 0 0 0
9 15 1 0 0 0 0
10 14 1 0 0 0 0
10 16 1 0 0 0 0
11 13 2 0 0 0 0
11 21 1 0 0 0 0
12 14 2 0 0 0 0
12 22 1 0 0 0 0
13 23 1 0 0 0 0
14 24 1 0 0 0 0
15 25 1 0 0 0 0
15 26 1 0 0 0 0
15 27 1 0 0 0 0
16 28 1 0 0 0 0
16 29 1 0 0 0 0
16 30 1 0 0 0 0
4. 国际命名与标识
4.1 IUPAC Name
3,6-dimethylphenanthrene
4.2 InChl
InChI=1S/C16H14/c1-11-3-5-13-7-8-14-6-4-12(2)10-16(14)15(13)9-11/h3-10H,1-2H3
4.3 InChlKey
OMIBPZBOAJFEJS-UHFFFAOYSA-N
4.4 Canonical SMILES
CC1=CC2=C(C=C1)C=CC3=C2C=C(C=C3)C
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 |
| 枇杷叶 |
Loquat Leaf |
Folium Eriobotryae |
| 西河柳 |
Chinese Tamarisk Twig |
Cacumen Tamaricis |
| 银柴胡 |
Starwort Root |
Radix Stellariae |
7. 相关靶点
8. 相关疾病
