| Collection |
D4 : TTD |
| Chemical Name |
3 beta-O-acetyloleanolic acid ( From PubChem : 3 B E T A - O - A C E T Y L O L E A N O L 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 |
| 498.737 g/mol |
1 |
4 |
7.6619 |
False(3/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 3 2 H 5 0 O 4 / c 1 - 2 7 ( 2 ) 1 5 - 1 7 - 3 2 ( 2 6 ( 3 4 ) 3 5 ) 1 8 - 1 6 - 3 0 ( 6 ) 2 0 ( 2 2 ( 3 2 ) 1 9 - 2 7 ) 9 - 1 0 - 2 4 - 2 9 ( 5 ) 1 3 - 1 1 - 2 1 ( 2 5 ( 3 3 ) 3 6 - 8 ) 2 8 ( 3 , 4 ) 2 3 ( 2 9 ) 1 2 - 1 4 - 3 1 ( 2 4 , 3 0 ) 7 / h 9 , 2 1 - 2 4 H , 1 0 - 1 9 H 2 , 1 - 8 H 3 , ( H , 3 4 , 3 5 ) / t 2 1 - , 2 2 + , 2 3 + , 2 4 - , 2 9 + , 3 0 - , 3 1 - , 3 2 + / m 1 / s 1 |
| InChIKey |
H D W Y A P C Z H C D U N P - J V Z Q W S I A S A - N
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Inhibitor | PTGS1 | | | Successful target |
|
| Download gene sets |
gmt, text, Detailed text
|
