| Collection |
D4 : TTD |
| Chemical Name |
Isorhamnetin 3,7-disulfate ( From PubChem : I S O R H A M N E T I N 3 , 7 - D I S U L F A T E ) |
| 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 |
| 552.569 g/mol |
2 |
13 |
2.7194 |
False(2/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 1 6 H 1 2 O 1 3 S 2 . 2 K / c 1 - 2 6 - 1 1 - 4 - 7 ( 2 - 3 - 9 ( 1 1 ) 1 7 ) 1 5 - 1 6 ( 2 9 - 3 1 ( 2 3 , 2 4 ) 2 5 ) 1 4 ( 1 9 ) 1 3 - 1 0 ( 1 8 ) 5 - 8 ( 6 - 1 2 ( 1 3 ) 2 7 - 1 5 ) 2 8 - 3 0 ( 2 0 , 2 1 ) 2 2 ; ; / h 2 - 6 , 1 7 - 1 8 H , 1 H 3 , ( H , 2 0 , 2 1 , 2 2 ) ( H , 2 3 , 2 4 , 2 5 ) ; ; / q ; 2 * + 1 / p - 2 |
| InChIKey |
J I L X H F D B M P F P L Q - U H F F F A O Y S A - L
|
| 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
|
