| Collection |
D4 : TTD |
| Chemical Name |
1(beta)-O-galloylpedunculagin ( From PubChem : C A S U A R I C T I N ) |
| 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 |
| 936.645 g/mol |
15 |
26 |
1.6469 |
False(1/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 4 1 H 2 8 O 2 6 / c 4 2 - 1 3 - 1 - 8 ( 2 - 1 4 ( 4 3 ) 2 4 ( 1 3 ) 4 8 ) 3 6 ( 5 7 ) 6 7 - 4 1 - 3 5 - 3 4 ( 6 5 - 3 9 ( 6 0 ) 1 1 - 5 - 1 7 ( 4 6 ) 2 7 ( 5 1 ) 3 1 ( 5 5 ) 2 2 ( 1 1 ) 2 3 - 1 2 ( 4 0 ( 6 1 ) 6 6 - 3 5 ) 6 - 1 8 ( 4 7 ) 2 8 ( 5 2 ) 3 2 ( 2 3 ) 5 6 ) 3 3 - 1 9 ( 6 3 - 4 1 ) 7 - 6 2 - 3 7 ( 5 8 ) 9 - 3 - 1 5 ( 4 4 ) 2 5 ( 4 9 ) 2 9 ( 5 3 ) 2 0 ( 9 ) 2 1 - 1 0 ( 3 8 ( 5 9 ) 6 4 - 3 3 ) 4 - 1 6 ( 4 5 ) 2 6 ( 5 0 ) 3 0 ( 2 1 ) 5 4 / h 1 - 6 , 1 9 , 3 3 - 3 5 , 4 1 - 5 6 H , 7 H 2 / t 1 9 ? , 3 3 ? , 3 4 ? , 3 5 ? , 4 1 - / m 0 / s 1 |
| InChIKey |
S W R F K G R M Q V L M K A - B D J I X J I C S A - N
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Inhibitor | SQLE | | | Successful target |
|
| Download gene sets |
gmt, text, Detailed text
|
