| Collection |
D4 : TTD |
| Chemical Name |
ZARAGOZIC ACID B ( From PubChem : Z A R A G O Z I C A C I D B ) |
| 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 |
| 730.838 g/mol |
6 |
13 |
4.878 |
False(1/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 3 9 H 5 4 O 1 3 / c 1 - 4 - 5 - 6 - 7 - 8 - 9 - 1 0 - 1 1 - 1 2 - 1 3 - 1 7 - 2 3 - 2 9 ( 4 0 ) 5 0 - 3 2 - 3 1 ( 4 2 ) 3 7 ( 5 1 - 3 3 ( 3 4 ( 4 3 ) 4 4 ) 3 8 ( 4 9 , 3 5 ( 4 5 ) 4 6 ) 3 9 ( 3 2 , 5 2 - 3 7 ) 3 6 ( 4 7 ) 4 8 ) 2 5 - 2 4 - 2 7 ( 3 ) 3 0 ( 4 1 ) 2 6 ( 2 ) 1 9 - 1 8 - 2 2 - 2 8 - 2 0 - 1 5 - 1 4 - 1 6 - 2 1 - 2 8 / h 4 - 5 , 1 0 - 1 1 , 1 4 - 1 6 , 1 8 , 2 0 - 2 2 , 2 6 - 2 7 , 3 0 - 3 3 , 4 1 - 4 2 , 4 9 H , 6 - 9 , 1 2 - 1 3 , 1 7 , 1 9 , 2 3 - 2 5 H 2 , 1 - 3 H 3 , ( H , 4 3 , 4 4 ) ( H , 4 5 , 4 6 ) ( H , 4 7 , 4 8 ) / b 5 - 4 + , 1 1 - 1 0 + , 2 2 - 1 8 + / t 2 6 ? , 2 7 ? , 3 0 ? , 3 1 - , 3 2 - , 3 3 - , 3 7 + , 3 8 - , 3 9 + / m 1 / s 1 |
| InChIKey |
V F Z A K I F L D M C T J V - N Z H U A J K L S A - N
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Inhibitor | FDFT1 | | | Discontinued target |
|
| Download gene sets |
gmt, text, Detailed text
|
