| Collection |
D4 : TTD |
| Chemical Name |
mallotusinic acid ( From PubChem : M A L L O T U S 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 |
| 1120.75 g/mol |
17 |
32 |
-0.1998 |
False(1/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 4 8 H 3 2 O 3 2 / c 4 9 - 1 5 - 1 - 9 ( 2 - 1 6 ( 5 0 ) 2 7 ( 1 5 ) 5 5 ) 4 1 ( 6 5 ) 7 9 - 4 6 - 3 9 - 3 8 - 3 6 ( 7 6 - 4 5 ( 6 9 ) 1 3 - 7 - 2 2 ( 5 4 ) 4 8 ( 7 2 ) 4 7 ( 7 0 , 7 1 ) 2 6 ( 1 3 ) 2 5 - 1 1 ( 4 3 ( 6 7 ) 7 8 - 3 9 ) 4 - 1 9 ( 5 3 ) 3 0 ( 5 8 ) 3 7 ( 2 5 ) 8 0 - 4 8 ) 2 1 ( 7 5 - 4 6 ) 8 - 7 3 - 4 2 ( 6 6 ) 1 0 - 3 - 1 7 ( 5 1 ) 2 8 ( 5 6 ) 3 2 ( 6 0 ) 2 3 ( 1 0 ) 2 4 - 1 2 ( 4 4 ( 6 8 ) 7 7 - 3 8 ) 6 - 2 0 ( 3 1 ( 5 9 ) 3 3 ( 2 4 ) 6 1 ) 7 4 - 3 5 - 1 4 ( 4 0 ( 6 3 ) 6 4 ) 5 - 1 8 ( 5 2 ) 2 9 ( 5 7 ) 3 4 ( 3 5 ) 6 2 / h 1 - 7 , 2 1 , 2 6 , 3 6 , 3 8 - 3 9 , 4 6 , 4 9 - 5 3 , 5 5 - 6 2 , 7 0 - 7 2 H , 8 H 2 , ( H , 6 3 , 6 4 ) |
| InChIKey |
M W P R J J B X N I N U T Q - U H F F F A O Y 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
|
