| Collection |
D4 : CTD |
| Chemical Name |
chebulinic acid ( From PubChem : C H E B U L I N I C A C I D ) |
| 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 |
| 956.677 g/mol |
13 |
27 |
0.0179 |
False(1/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 4 1 H 3 2 O 2 7 / c 4 2 - 1 5 - 1 - 1 0 ( 2 - 1 6 ( 4 3 ) 2 6 ( 1 5 ) 5 1 ) 3 5 ( 5 6 ) 6 2 - 9 - 2 2 - 3 1 - 3 3 ( 6 6 - 3 6 ( 5 7 ) 1 1 - 3 - 1 7 ( 4 4 ) 2 7 ( 5 2 ) 1 8 ( 4 5 ) 4 - 1 1 ) 3 4 ( 4 1 ( 6 3 - 2 2 ) 6 8 - 3 7 ( 5 8 ) 1 2 - 5 - 1 9 ( 4 6 ) 2 8 ( 5 3 ) 2 0 ( 4 7 ) 6 - 1 2 ) 6 7 - 3 8 ( 5 9 ) 1 3 - 7 - 2 1 ( 4 8 ) 2 9 ( 5 4 ) 3 2 - 2 5 ( 1 3 ) 2 4 ( 3 0 ( 5 5 ) 4 0 ( 6 1 ) 6 5 - 3 2 ) 1 4 ( 8 - 2 3 ( 4 9 ) 5 0 ) 3 9 ( 6 0 ) 6 4 - 3 1 / h 1 - 7 , 1 4 , 2 2 , 2 4 , 3 0 - 3 1 , 3 3 - 3 4 , 4 1 - 4 8 , 5 1 - 5 5 H , 8 - 9 H 2 , ( H , 4 9 , 5 0 ) / t 1 4 - , 2 2 + , 2 4 ? , 3 0 - , 3 1 ? , 3 3 - , 3 4 ? , 4 1 - / m 0 / s 1 |
| InChIKey |
Y G V H O S G N O Y K R I H - H G P T V I G T S A - N
|
| Links |
|
Gene
(6 /
14)
⊖ Less
|
|
| Download gene sets |
gmt, text, Detailed text
|
