| Collection |
D4 : TTD |
| Chemical Name |
VAGANINE D ( From PubChem : V A G A N I N E D ) |
| FDA |
NPC |
WHO |
Indian |
Australia |
China |
Traditional
Herbal |
Clinical
Trail |
| Not | Not | Not | Not | Not | Not | Not | Not |
|
Molecular
Weight |
Hydrogen Bond
Donor Count |
Hydrogen Bond
Acceptor Count |
cLogP |
Lipinski Rule |
| 484.714 g/mol |
1 |
5 |
5.899 |
False(3/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 3 0 H 4 8 N 2 O 3 / c 1 - 1 8 ( 2 ) 1 7 - 2 7 ( 3 4 ) 3 1 - 2 6 - 1 4 - 1 6 - 3 0 ( 6 ) 2 4 - 1 3 - 1 5 - 2 9 ( 5 ) 2 2 ( 1 9 ( 3 ) 3 2 ( 7 ) 8 ) 1 1 - 1 2 - 2 3 ( 2 9 ) 2 1 ( 2 4 ) 9 - 1 0 - 2 5 ( 3 0 ) 2 8 ( 2 6 ) 3 5 - 2 0 ( 4 ) 3 3 / h 1 1 , 1 7 , 1 9 , 2 1 , 2 3 - 2 6 , 2 8 H , 9 - 1 0 , 1 2 - 1 6 H 2 , 1 - 8 H 3 , ( H , 3 1 , 3 4 ) / t 1 9 - , 2 1 - , 2 3 - , 2 4 - , 2 5 - , 2 6 - , 2 8 + , 2 9 + , 3 0 + / m 0 / s 1 |
| InChIKey |
S Y W A O Y C X R Q D R L P - U L E R W O D G S A - N
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Inhibitor | BCHE | | | Successful target |
|
| Download gene sets |
gmt, text, Detailed text
|
