| Collection |
D4 : TTD |
| Chemical Name |
2beta,3alpha-dihydroxyurs-12-en-28-oic acid ( From PubChem : C H E M B L 5 7 4 9 9 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 |
| 472.7 g/mol |
3 |
4 |
6.0603 |
False(3/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 3 0 H 4 8 O 4 / c 1 - 1 7 - 1 0 - 1 3 - 3 0 ( 2 5 ( 3 3 ) 3 4 ) 1 5 - 1 4 - 2 8 ( 6 ) 1 9 ( 2 3 ( 3 0 ) 1 8 ( 1 7 ) 2 ) 8 - 9 - 2 2 - 2 7 ( 5 ) 1 6 - 2 0 ( 3 1 ) 2 4 ( 3 2 ) 2 6 ( 3 , 4 ) 2 1 ( 2 7 ) 1 1 - 1 2 - 2 9 ( 2 2 , 2 8 ) 7 / h 8 , 1 7 - 1 8 , 2 0 - 2 4 , 3 1 - 3 2 H , 9 - 1 6 H 2 , 1 - 7 H 3 , ( H , 3 3 , 3 4 ) / t 1 7 - , 1 8 + , 2 0 + , 2 1 + , 2 2 - , 2 3 + , 2 4 - , 2 7 + , 2 8 - , 2 9 - , 3 0 + / m 1 / s 1 |
| InChIKey |
H F G S Q O Y I O K B Q O W - F E Z P F B H M 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
|
