| Collection |
D4 : TTD |
| Chemical Name |
Patuletin 3-O-beta-D-galactoside ( From PubChem : A C 1 N S Z G 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 |
| 494.402 g/mol |
8 |
13 |
-0.5303 |
False(2/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 2 2 H 2 2 O 1 3 / c 1 - 3 2 - 2 0 - 1 0 ( 2 6 ) 5 - 1 1 - 1 3 ( 1 5 ( 2 0 ) 2 8 ) 1 6 ( 2 9 ) 2 1 ( 1 9 ( 3 3 - 1 1 ) 7 - 2 - 3 - 8 ( 2 4 ) 9 ( 2 5 ) 4 - 7 ) 3 5 - 2 2 - 1 8 ( 3 1 ) 1 7 ( 3 0 ) 1 4 ( 2 7 ) 1 2 ( 6 - 2 3 ) 3 4 - 2 2 / h 2 - 5 , 1 2 , 1 4 , 1 7 - 1 8 , 2 2 - 2 8 , 3 0 - 3 1 H , 6 H 2 , 1 H 3 / t 1 2 - , 1 4 + , 1 7 + , 1 8 - , 2 2 + / m 1 / s 1 |
| InChIKey |
A F B Z F R Q N K M L R P U - U F J V G A L S 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
|
