Gene Set: D1 - Approved - D I G O X I N
| Collection |
D1 : Approved |
| Chemical Name |
D I G O X I N |
| FDA |
NPC |
WHO |
Indian |
Australia |
China |
Traditional
Herbal |
Clinical
Trail |
| Approved | Not | Approved | Approved | Not | Approved | Not | Not |
|
Molecular
Weight |
Hydrogen Bond
Donor Count |
Hydrogen Bond
Acceptor Count |
cLogP |
Lipinski Rule |
| 780.938 g/mol |
6 |
14 |
2.2181 |
False(1/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 4 1 H 6 4 O 1 4 / c 1 - 1 9 - 3 6 ( 4 7 ) 2 8 ( 4 2 ) 1 5 - 3 4 ( 5 0 - 1 9 ) 5 4 - 3 8 - 2 1 ( 3 ) 5 2 - 3 5 ( 1 7 - 3 0 ( 3 8 ) 4 4 ) 5 5 - 3 7 - 2 0 ( 2 ) 5 1 - 3 3 ( 1 6 - 2 9 ( 3 7 ) 4 3 ) 5 3 - 2 4 - 8 - 1 0 - 3 9 ( 4 ) 2 3 ( 1 3 - 2 4 ) 6 - 7 - 2 6 - 2 7 ( 3 9 ) 1 4 - 3 1 ( 4 5 ) 4 0 ( 5 ) 2 5 ( 9 - 1 1 - 4 1 ( 2 6 , 4 0 ) 4 8 ) 2 2 - 1 2 - 3 2 ( 4 6 ) 4 9 - 1 8 - 2 2 / h 1 2 , 1 9 - 2 1 , 2 3 - 3 1 , 3 3 - 3 8 , 4 2 - 4 5 , 4 7 - 4 8 H , 6 - 1 1 , 1 3 - 1 8 H 2 , 1 - 5 H 3 / t 1 9 - , 2 0 - , 2 1 - , 2 3 ? , 2 4 + , 2 5 - , 2 6 ? , 2 7 ? , 2 8 + , 2 9 + , 3 0 + , 3 1 - , 3 3 + , 3 4 + , 3 5 + , 3 6 - , 3 7 - , 3 8 - , 3 9 + , 4 0 + , 4 1 + / m 1 / s 1 |
| InChIKey |
L T M H D M A N Z U Z I P E - A Q M L N V N B S A - N
|
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University of Colorado School of Medicine
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