| Collection |
D4 : TTD |
| Chemical Name |
n-Butyl 2beta-hydroxyolean-12-en-28-oate ( From PubChem : C H E M B L 1 0 7 7 7 5 8 ) |
| 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 |
| 512.807 g/mol |
1 |
3 |
8.4923 |
False(2/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 3 4 H 5 6 O 3 / c 1 - 9 - 1 0 - 1 9 - 3 7 - 2 8 ( 3 6 ) 3 4 - 1 7 - 1 5 - 2 9 ( 2 , 3 ) 2 2 - 2 5 ( 3 4 ) 2 4 - 1 1 - 1 2 - 2 7 - 3 1 ( 6 ) 2 1 - 2 3 ( 3 5 ) 2 0 - 3 0 ( 4 , 5 ) 2 6 ( 3 1 ) 1 3 - 1 4 - 3 3 ( 2 7 , 8 ) 3 2 ( 2 4 , 7 ) 1 6 - 1 8 - 3 4 / h 1 1 , 2 3 , 2 5 - 2 7 , 3 5 H , 9 - 1 0 , 1 2 - 2 2 H 2 , 1 - 8 H 3 / t 2 3 - , 2 5 + , 2 6 + , 2 7 - , 3 1 + , 3 2 - , 3 3 - , 3 4 + / m 1 / s 1 |
| InChIKey |
U Z T Y A E I R V Q J Q Q C - X X J J M G N B 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
|
