| Collection |
D4 : TTD |
| Chemical Name |
Benzyl 2-hydroxyiminoolean-12-en-28-oate ( From PubChem : C H E M B L 1 0 7 8 4 0 9 ) |
| 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 |
| 559.822 g/mol |
1 |
4 |
9.3617 |
False(2/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 3 7 H 5 3 N O 3 / c 1 - 3 2 ( 2 ) 1 7 - 1 9 - 3 7 ( 3 1 ( 3 9 ) 4 1 - 2 4 - 2 5 - 1 1 - 9 - 8 - 1 0 - 1 2 - 2 5 ) 2 0 - 1 8 - 3 5 ( 6 ) 2 7 ( 2 8 ( 3 7 ) 2 3 - 3 2 ) 1 3 - 1 4 - 3 0 - 3 4 ( 5 ) 2 2 - 2 6 ( 3 8 - 4 0 ) 2 1 - 3 3 ( 3 , 4 ) 2 9 ( 3 4 ) 1 5 - 1 6 - 3 6 ( 3 0 , 3 5 ) 7 / h 8 - 1 3 , 2 8 - 3 0 , 4 0 H , 1 4 - 2 4 H 2 , 1 - 7 H 3 / b 3 8 - 2 6 - / t 2 8 - , 2 9 - , 3 0 + , 3 4 - , 3 5 + , 3 6 + , 3 7 - / m 0 / s 1 |
| InChIKey |
U M K N G D W N D B A A G T - L T N B O R J F S A - N
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Inhibitor | PYGM | | | Discontinued target |
|
| Download gene sets |
gmt, text, Detailed text
|
