| Collection |
D4 : TTD |
| Chemical Name |
TINGENONE ( From PubChem : T I N G E N O N 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 |
| 420.584 g/mol |
1 |
3 |
6.4219 |
False(3/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 2 8 H 3 6 O 3 / c 1 - 1 6 - 1 3 - 2 3 - 2 5 ( 3 , 1 5 - 2 1 ( 1 6 ) 3 0 ) 9 - 1 1 - 2 7 ( 5 ) 2 2 - 8 - 7 - 1 8 - 1 7 ( 2 ) 2 4 ( 3 1 ) 2 0 ( 2 9 ) 1 4 - 1 9 ( 1 8 ) 2 6 ( 2 2 , 4 ) 1 0 - 1 2 - 2 8 ( 2 3 , 2 7 ) 6 / h 7 - 8 , 1 4 , 1 6 , 2 3 , 3 1 H , 9 - 1 3 , 1 5 H 2 , 1 - 6 H 3 / t 1 6 - , 2 3 - , 2 5 + , 2 6 + , 2 7 - , 2 8 + / m 1 / s 1 |
| InChIKey |
W S T Y N Z D A O A E E K G - G W J S G U L Q 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
|
