| Collection |
D4 : TTD |
| Chemical Name |
celastrol ( From PubChem : C E L A S T R O L ) |
| FDA |
NPC |
WHO |
Indian |
Australia |
China |
Traditional
Herbal |
Clinical
Trail |
| Not | Not | Not | Not | Not | Not | Approved | Not |
|
Molecular
Weight |
Hydrogen Bond
Donor Count |
Hydrogen Bond
Acceptor Count |
cLogP |
Lipinski Rule |
| 450.61 g/mol |
2 |
4 |
6.6977 |
False(3/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 2 9 H 3 8 O 4 / c 1 - 1 7 - 1 8 - 7 - 8 - 2 1 - 2 7 ( 4 , 1 9 ( 1 8 ) 1 5 - 2 0 ( 3 0 ) 2 3 ( 1 7 ) 3 1 ) 1 2 - 1 4 - 2 9 ( 6 ) 2 2 - 1 6 - 2 6 ( 3 , 2 4 ( 3 2 ) 3 3 ) 1 0 - 9 - 2 5 ( 2 2 , 2 ) 1 1 - 1 3 - 2 8 ( 2 1 , 2 9 ) 5 / h 7 - 8 , 1 5 , 2 2 , 3 1 H , 9 - 1 4 , 1 6 H 2 , 1 - 6 H 3 , ( H , 3 2 , 3 3 ) / t 2 2 - , 2 5 - , 2 6 - , 2 7 + , 2 8 - , 2 9 + / m 1 / s 1 |
| InChIKey |
K Q J S Q W Z M S A G S H N - J J W Q I E B T S A - N
|
| Links |
|
Gene
(4 /
6)
⊖ Less
|
|
| Download gene sets |
gmt, text, Detailed text
|
