| Collection |
D4 : TTD |
| Chemical Name |
Patuletin 3-O-beta-D-robinobioside ( From PubChem : C H E M B L 4 4 2 9 2 0 ) |
| 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 |
| 640.543 g/mol |
10 |
17 |
-1.6785 |
False(1/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 2 8 H 3 2 O 1 7 / c 1 - 8 - 1 6 ( 3 2 ) 2 0 ( 3 6 ) 2 2 ( 3 8 ) 2 7 ( 4 2 - 8 ) 4 1 - 7 - 1 4 - 1 7 ( 3 3 ) 2 1 ( 3 7 ) 2 3 ( 3 9 ) 2 8 ( 4 4 - 1 4 ) 4 5 - 2 6 - 1 9 ( 3 5 ) 1 5 - 1 3 ( 6 - 1 2 ( 3 1 ) 2 5 ( 4 0 - 2 ) 1 8 ( 1 5 ) 3 4 ) 4 3 - 2 4 ( 2 6 ) 9 - 3 - 4 - 1 0 ( 2 9 ) 1 1 ( 3 0 ) 5 - 9 / h 3 - 6 , 8 , 1 4 , 1 6 - 1 7 , 2 0 - 2 3 , 2 7 - 3 4 , 3 6 - 3 9 H , 7 H 2 , 1 - 2 H 3 / t 8 - , 1 4 + , 1 6 - , 1 7 - , 2 0 + , 2 1 - , 2 2 + , 2 3 + , 2 7 + , 2 8 - / m 0 / s 1 |
| InChIKey |
M L O J Y A B W N D V J M G - G B W W R X B V S A - N
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Inhibitor | AKR1B1 | | | Successful target |
|
| Download gene sets |
gmt, text, Detailed text
|
