| Collection |
D1 : Approved |
| Chemical Name |
A N I D U L A F U N G I N |
| FDA |
NPC |
WHO |
Indian |
Australia |
China |
Traditional
Herbal |
Clinical
Trail |
| Approved | Not | Not | Approved | Not | Not | Not | Not |
|
Molecular
Weight |
Hydrogen Bond
Donor Count |
Hydrogen Bond
Acceptor Count |
cLogP |
Lipinski Rule |
| 1140.24 g/mol |
14 |
24 |
0.6548 |
False(1/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 5 8 H 7 3 N 7 O 1 7 / c 1 - 5 - 6 - 7 - 2 4 - 8 2 - 4 0 - 2 2 - 1 8 - 3 5 ( 1 9 - 2 3 - 4 0 ) 3 3 - 1 0 - 8 - 3 2 ( 9 - 1 1 - 3 3 ) 3 4 - 1 2 - 1 4 - 3 7 ( 1 5 - 1 3 - 3 4 ) 5 1 ( 7 4 ) 5 9 - 4 1 - 2 6 - 4 3 ( 7 0 ) 5 4 ( 7 7 ) 6 3 - 5 6 ( 7 9 ) 4 7 - 4 8 ( 7 1 ) 2 9 ( 2 ) 2 7 - 6 5 ( 4 7 ) 5 8 ( 8 1 ) 4 5 ( 3 1 ( 4 ) 6 7 ) 6 1 - 5 5 ( 7 8 ) 4 6 ( 5 0 ( 7 3 ) 4 9 ( 7 2 ) 3 6 - 1 6 - 2 0 - 3 8 ( 6 8 ) 2 1 - 1 7 - 3 6 ) 6 2 - 5 3 ( 7 6 ) 4 2 - 2 5 - 3 9 ( 6 9 ) 2 8 - 6 4 ( 4 2 ) 5 7 ( 8 0 ) 4 4 ( 3 0 ( 3 ) 6 6 ) 6 0 - 5 2 ( 4 1 ) 7 5 / h 8 - 2 3 , 2 9 - 3 1 , 3 9 , 4 1 - 5 0 , 5 4 , 6 6 - 7 3 , 7 7 H , 5 - 7 , 2 4 - 2 8 H 2 , 1 - 4 H 3 , ( H , 5 9 , 7 4 ) ( H , 6 0 , 7 5 ) ( H , 6 1 , 7 8 ) ( H , 6 2 , 7 6 ) ( H , 6 3 , 7 9 ) / t 2 9 - , 3 0 + , 3 1 + , 3 9 + , 4 1 - , 4 2 ? , 4 3 + , 4 4 ? , 4 5 ? , 4 6 ? , 4 7 ? , 4 8 - , 4 9 - , 5 0 - , 5 4 + / m 0 / s 1 |
| InChIKey |
J H V A M H S Q V V Q I O T - X E M A V X G P S A - N
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
|
| Download gene sets |
gmt, text, Detailed text
|
