| Collection |
D4 : TTD |
| Chemical Name |
3beta-acetoxyolean-12-en-27-oic acid ( From PubChem : C H E M B L 2 0 8 6 3 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 |
| 498.737 g/mol |
1 |
4 |
7.8044 |
False(3/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 3 2 H 5 0 O 4 / c 1 - 2 0 ( 3 3 ) 3 6 - 2 5 - 1 2 - 1 3 - 3 0 ( 7 ) 2 3 ( 2 8 ( 2 5 , 4 ) 5 ) 1 1 - 1 4 - 3 1 ( 8 ) 2 4 ( 3 0 ) 1 0 - 9 - 2 1 - 2 2 - 1 9 - 2 7 ( 2 , 3 ) 1 5 - 1 6 - 2 9 ( 2 2 , 6 ) 1 7 - 1 8 - 3 2 ( 2 1 , 3 1 ) 2 6 ( 3 4 ) 3 5 / h 9 , 2 2 - 2 5 H , 1 0 - 1 9 H 2 , 1 - 8 H 3 , ( H , 3 4 , 3 5 ) / t 2 2 - , 2 3 + , 2 4 + , 2 5 - , 2 9 + , 3 0 - , 3 1 + , 3 2 + / m 0 / s 1 |
| InChIKey |
I Q Y U E J T V D L H Z D J - G V A Q Q S J K S A - N
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Inhibitor | PTPN1 | | | Research target |
|
| Download gene sets |
gmt, text, Detailed text
|
