| Collection |
D4 : TTD |
| Chemical Name |
mallotinic acid ( From PubChem : M A L L O T I 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 |
| 802.556 g/mol |
14 |
23 |
0.6052 |
False(1/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 3 4 H 2 6 O 2 3 / c 3 5 - 1 1 - 1 - 7 ( 2 - 1 2 ( 3 6 ) 1 9 ( 1 1 ) 3 9 ) 3 1 ( 5 0 ) 5 7 - 3 4 - 2 7 ( 4 7 ) 2 9 - 2 3 ( 4 3 ) 1 6 ( 5 5 - 3 4 ) 6 - 5 3 - 3 2 ( 5 1 ) 8 - 3 - 1 3 ( 3 7 ) 2 0 ( 4 0 ) 2 4 ( 4 4 ) 1 7 ( 8 ) 1 8 - 9 ( 3 3 ( 5 2 ) 5 6 - 2 9 ) 5 - 1 5 ( 2 2 ( 4 2 ) 2 5 ( 1 8 ) 4 5 ) 5 4 - 2 8 - 1 0 ( 3 0 ( 4 8 ) 4 9 ) 4 - 1 4 ( 3 8 ) 2 1 ( 4 1 ) 2 6 ( 2 8 ) 4 6 / h 1 - 5 , 1 6 , 2 3 , 2 7 , 2 9 , 3 4 - 4 7 H , 6 H 2 , ( H , 4 8 , 4 9 ) / t 1 6 ? , 2 3 - , 2 7 - , 2 9 ? , 3 4 + / m 1 / s 1 |
| InChIKey |
A J I F A S H L G B H D D S - K M U C J L K R S A - N
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Inhibitor | SQLE | | | Successful target |
|
| Download gene sets |
gmt, text, Detailed text
|
