| Collection |
D4 : CTD |
| Chemical Name |
mesaconitine ( From PubChem : M E S A C O N I T I N E ) |
| FDA |
NPC |
WHO |
Indian |
Australia |
China |
Traditional
Herbal |
Clinical
Trail |
| Not | Not | Not | Not | Not | Not | Approved | Not |
|
Molecular
Weight |
Hydrogen Bond
Donor Count |
Hydrogen Bond
Acceptor Count |
cLogP |
Lipinski Rule |
| 631.711 g/mol |
3 |
12 |
0.1959 |
False(2/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 3 3 H 4 5 N O 1 1 / c 1 - 1 6 ( 3 5 ) 4 5 - 3 3 - 2 1 - 1 8 ( 1 3 - 3 1 ( 3 9 , 2 8 ( 4 3 - 6 ) 2 6 ( 3 3 ) 3 7 ) 2 7 ( 2 1 ) 4 4 - 2 9 ( 3 8 ) 1 7 - 1 0 - 8 - 7 - 9 - 1 1 - 1 7 ) 3 2 - 2 0 ( 4 1 - 4 ) 1 2 - 1 9 ( 3 6 ) 3 0 ( 1 5 - 4 0 - 3 ) 1 4 - 3 4 ( 2 ) 2 5 ( 3 2 ) 2 2 ( 3 3 ) 2 3 ( 4 2 - 5 ) 2 4 ( 3 0 ) 3 2 / h 7 - 1 1 , 1 8 - 2 8 , 3 6 - 3 7 , 3 9 H , 1 2 - 1 5 H 2 , 1 - 6 H 3 / t 1 8 ? , 1 9 ? , 2 0 ? , 2 1 ? , 2 2 ? , 2 3 ? , 2 4 ? , 2 5 ? , 2 6 ? , 2 7 ? , 2 8 - , 3 0 ? , 3 1 + , 3 2 ? , 3 3 + / m 0 / s 1 |
| InChIKey |
X U H J B X V Y N B Q Q B D - J S J W N G J D S A - N
|
| Links |
|
Gene
(3 /
8)
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|
|
| Download gene sets |
gmt, text, Detailed text
|
