3. 结构
3.1 二维结构
3.2 三维结构
-1
-2
-3
32 34 0 0 0 0 0 0 0999 V2000
-3.4511 -0.9731 0.0891 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5251 -2.4979 0.3012 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7972 1.6228 -0.0039 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0832 2.9536 -0.1942 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0740 -1.1615 0.1457 N 0 0 0 0 0 0 0 0 0 0 0 0
0.1676 -0.4770 0.1097 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2002 0.9461 -0.0082 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2086 -0.4252 0.0647 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2819 0.9437 -0.0500 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0760 1.7348 -0.0945 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4027 -1.1434 0.1861 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4133 1.6448 -0.0462 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1720 -2.6125 0.2617 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6156 0.9478 0.0321 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6106 -0.4394 0.1479 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6549 1.2677 -0.0999 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3259 0.0665 -0.0119 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6044 -3.2442 -0.9102 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9911 0.8463 0.0809 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4337 2.7278 -0.1360 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5798 -3.0032 1.0945 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9242 -3.1015 -0.6823 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1953 -2.9356 0.4917 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5184 -1.0310 0.2148 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1059 2.2456 -0.1883 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3716 -0.2047 -0.0071 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2107 -4.2484 -0.7306 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6550 -3.3355 -1.2035 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0474 -2.7753 -1.7286 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0929 0.1689 -0.7738 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0630 0.3211 1.0393 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8336 1.5442 0.0362 H 0 0 0 0 0 0 0 0 0 0 0 0
1 8 1 0 0 0 0
1 17 1 0 0 0 0
2 11 1 0 0 0 0
2 18 1 0 0 0 0
3 14 1 0 0 0 0
3 19 1 0 0 0 0
4 10 2 0 0 0 0
5 6 1 0 0 0 0
5 8 1 0 0 0 0
5 13 1 0 0 0 0
6 7 2 0 0 0 0
6 11 1 0 0 0 0
7 10 1 0 0 0 0
7 12 1 0 0 0 0
8 9 2 0 0 0 0
9 10 1 0 0 0 0
9 16 1 0 0 0 0
11 15 2 0 0 0 0
12 14 2 0 0 0 0
12 20 1 0 0 0 0
13 21 1 0 0 0 0
13 22 1 0 0 0 0
13 23 1 0 0 0 0
14 15 1 0 0 0 0
15 24 1 0 0 0 0
16 17 2 0 0 0 0
16 25 1 0 0 0 0
17 26 1 0 0 0 0
18 27 1 0 0 0 0
18 28 1 0 0 0 0
18 29 1 0 0 0 0
19 30 1 0 0 0 0
19 31 1 0 0 0 0
19 32 1 0 0 0 0
4. 国际命名与标识
4.1 IUPAC Name
6,8-dimethoxy-9-methylfuro[2,3-b]quinolin-4-one
4.2 InChl
InChI=1S/C14H13NO4/c1-15-12-10(6-8(17-2)7-11(12)18-3)13(16)9-4-5-19-14(9)15/h4-7H,1-3H3
4.3 InChlKey
FXHBKLQQNAGNJN-UHFFFAOYSA-N
4.4 Canonical SMILES
CN1C2=C(C=C(C=C2OC)OC)C(=O)C3=C1OC=C3
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 |
| 白鲜皮 |
Densefruit Pittany Root-bark Equivalent plant: Dic |
Dictamnus dasycarpus |
| 白鲜皮 |
Dictamni Cortex |
- |
7. 相关靶点
8. 相关疾病
