| Collection |
D4 : TTD |
| Chemical Name |
quercetin 3-O-neohesperidoside ( From PubChem : Q U E R C E T I N 3 - O - N E O H E S P E R I D O S I D 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 |
| 610.518 g/mol |
10 |
16 |
-1.6871 |
False(1/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 2 7 H 3 0 O 1 6 / c 1 - 8 - 1 7 ( 3 3 ) 2 0 ( 3 6 ) 2 2 ( 3 8 ) 2 6 ( 3 9 - 8 ) 4 3 - 2 5 - 2 1 ( 3 7 ) 1 8 ( 3 4 ) 1 5 ( 7 - 2 8 ) 4 1 - 2 7 ( 2 5 ) 4 2 - 2 4 - 1 9 ( 3 5 ) 1 6 - 1 3 ( 3 2 ) 5 - 1 0 ( 2 9 ) 6 - 1 4 ( 1 6 ) 4 0 - 2 3 ( 2 4 ) 9 - 2 - 3 - 1 1 ( 3 0 ) 1 2 ( 3 1 ) 4 - 9 / h 2 - 6 , 8 , 1 5 , 1 7 - 1 8 , 2 0 - 2 2 , 2 5 - 3 4 , 3 6 - 3 8 H , 7 H 2 , 1 H 3 / t 8 - , 1 5 + , 1 7 - , 1 8 - , 2 0 + , 2 1 - , 2 2 + , 2 5 + , 2 6 - , 2 7 - / m 0 / s 1 |
| InChIKey |
F Y B M G Z S D Y D N B F X - K L U V J T J F 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
|
