| Collection |
D4 : TTD |
| Chemical Name |
methyl 3beta-hydroxyolean-12-en-28-oate ( From PubChem : C H E M B L 3 8 1 7 0 7 ) |
| 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 |
| 456.7 g/mol |
1 |
3 |
6.9319 |
False(3/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 3 0 H 4 8 O 3 / c 1 - 2 6 ( 2 ) 1 6 - 1 7 - 3 0 ( 2 5 ( 3 2 ) 3 3 - 7 ) 1 5 - 1 0 - 2 0 - 1 9 ( 2 1 ( 3 0 ) 1 8 - 2 6 ) 8 - 9 - 2 3 - 2 8 ( 2 0 , 5 ) 1 3 - 1 1 - 2 2 - 2 7 ( 3 , 4 ) 2 4 ( 3 1 ) 1 2 - 1 4 - 2 9 ( 2 2 , 2 3 ) 6 / h 8 , 2 0 - 2 4 , 3 1 H , 9 - 1 8 H 2 , 1 - 7 H 3 / t 2 0 - , 2 1 + , 2 2 - , 2 3 + , 2 4 + , 2 8 + , 2 9 + , 3 0 - / m 1 / s 1 |
| InChIKey |
Q Q T T Y K D X V I O N S Q - S D L S C X K I 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
|
