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
-2.6744 2.1381 -0.3805 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0481 0.5514 0.0257 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2405 1.3989 -0.2129 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.3666 -0.7371 -0.0102 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8498 0.5630 -0.1602 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0620 -0.6604 0.0266 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4101 0.6845 -0.1021 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2949 -1.7965 0.0705 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2157 0.8592 -0.2336 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6640 -1.5160 -0.0015 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0930 -1.6143 0.1580 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1154 -0.2069 -0.1512 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7383 1.1257 -0.1063 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7416 0.1618 0.0253 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4261 -1.1884 0.1554 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6488 -2.6343 0.0835 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9300 2.8712 0.8137 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1889 2.4027 -0.3183 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9451 -2.8186 0.1893 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8627 -2.6710 0.2606 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1831 -0.0034 -0.2044 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9795 2.1790 -0.2081 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2131 -1.9318 0.2573 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9323 -2.8061 1.1266 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5523 -2.4103 -0.4938 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2311 -3.5612 -0.3240 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2821 3.8684 0.5357 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0150 2.9759 1.4053 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7069 2.3790 1.4075 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6122 -0.2347 0.1251 H 0 0 0 0 0 0 0 0 0 0 0 0
1 9 1 0 0 0 0
1 17 1 0 0 0 0
2 14 1 0 0 0 0
2 30 1 0 0 0 0
3 5 1 0 0 0 0
3 7 1 0 0 0 0
3 18 1 0 0 0 0
4 5 2 0 0 0 0
4 6 1 0 0 0 0
4 8 1 0 0 0 0
5 9 1 0 0 0 0
6 7 2 0 0 0 0
6 11 1 0 0 0 0
7 13 1 0 0 0 0
8 10 2 0 0 0 0
8 19 1 0 0 0 0
9 12 2 0 0 0 0
10 12 1 0 0 0 0
10 16 1 0 0 0 0
11 15 2 0 0 0 0
11 20 1 0 0 0 0
12 21 1 0 0 0 0
13 14 2 0 0 0 0
13 22 1 0 0 0 0
14 15 1 0 0 0 0
15 23 1 0 0 0 0
16 24 1 0 0 0 0
16 25 1 0 0 0 0
16 26 1 0 0 0 0
17 27 1 0 0 0 0
17 28 1 0 0 0 0
17 29 1 0 0 0 0
4. 国际命名与标识
4.1 IUPAC Name
8-methoxy-6-methyl-9H-carbazol-2-ol
4.2 InChl
InChI=1S/C14H13NO2/c1-8-5-11-10-4-3-9(16)7-12(10)15-14(11)13(6-8)17-2/h3-7,15-16H,1-2H3
4.3 InChlKey
LUZSMZYGSICZOH-UHFFFAOYSA-N
4.4 Canonical SMILES
CC1=CC2=C(C(=C1)OC)NC3=C2C=CC(=C3)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
7. 相关靶点
8. 相关疾病
