| Collection |
D4 : TTD |
| Chemical Name |
Ethyl 2beta-hydroxyolean-12-en-28-oate ( From PubChem : C H E M B L 1 0 7 7 9 7 3 ) |
| 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 |
| 484.753 g/mol |
1 |
3 |
7.7121 |
False(3/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 3 2 H 5 2 O 3 / c 1 - 9 - 3 5 - 2 6 ( 3 4 ) 3 2 - 1 6 - 1 4 - 2 7 ( 2 , 3 ) 2 0 - 2 3 ( 3 2 ) 2 2 - 1 0 - 1 1 - 2 5 - 2 9 ( 6 ) 1 9 - 2 1 ( 3 3 ) 1 8 - 2 8 ( 4 , 5 ) 2 4 ( 2 9 ) 1 2 - 1 3 - 3 1 ( 2 5 , 8 ) 3 0 ( 2 2 , 7 ) 1 5 - 1 7 - 3 2 / h 1 0 , 2 1 , 2 3 - 2 5 , 3 3 H , 9 , 1 1 - 2 0 H 2 , 1 - 8 H 3 / t 2 1 - , 2 3 + , 2 4 + , 2 5 - , 2 9 + , 3 0 - , 3 1 - , 3 2 + / m 1 / s 1 |
| InChIKey |
Z G V D W C U G E W K V J U - U M I B N U P H 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
|
