| Collection |
D4 : TTD |
| Chemical Name |
rotungenic acid ( From PubChem : R O T U N G E N I C A C I D ) |
| 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 |
| 488.699 g/mol |
4 |
5 |
5.1768 |
False(3/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 3 0 H 4 8 O 5 / c 1 - 1 8 - 9 - 1 4 - 3 0 ( 2 4 ( 3 3 ) 3 4 ) 1 6 - 1 5 - 2 7 ( 4 ) 1 9 ( 2 3 ( 3 0 ) 2 9 ( 1 8 , 6 ) 3 5 ) 7 - 8 - 2 1 - 2 5 ( 2 ) 1 2 - 1 1 - 2 2 ( 3 2 ) 2 6 ( 3 , 1 7 - 3 1 ) 2 0 ( 2 5 ) 1 0 - 1 3 - 2 8 ( 2 1 , 2 7 ) 5 / h 7 , 1 8 , 2 0 - 2 3 , 3 1 - 3 2 , 3 5 H , 8 - 1 7 H 2 , 1 - 6 H 3 , ( H , 3 3 , 3 4 ) / t 1 8 - , 2 0 - , 2 1 - , 2 2 + , 2 3 - , 2 5 + , 2 6 - , 2 7 - , 2 8 - , 2 9 - , 3 0 + / m 1 / s 1 |
| InChIKey |
Y L H Q F G O O M K J F L P - V N U P I Y K R S A - N
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Inhibitor | PTPN1 | | | Research target |
|
| Download gene sets |
gmt, text, Detailed text
|
