| Collection |
D4 : Boss |
| Chemical Name |
aerosporin ( From PubChem : A E R O S P O R I N ) |
| 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 |
| 1203.48 g/mol |
18 |
29 |
2.1219 |
False(1/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 5 6 H 9 8 N 1 6 O 1 3 / c 1 - 7 - 3 2 ( 4 ) 1 3 - 1 1 - 1 2 - 1 6 - 4 4 ( 7 5 ) 6 3 - 3 6 ( 1 7 - 2 3 - 5 7 ) 5 1 ( 8 0 ) 7 2 - 4 6 ( 3 4 ( 6 ) 7 4 ) 5 6 ( 8 5 ) 6 8 - 3 9 ( 2 0 - 2 6 - 6 0 ) 4 8 ( 7 7 ) 6 7 - 4 1 - 2 2 - 2 8 - 6 2 - 5 5 ( 8 4 ) 4 5 ( 3 3 ( 5 ) 7 3 ) 7 1 - 5 2 ( 8 1 ) 4 0 ( 2 1 - 2 7 - 6 1 ) 6 5 - 4 7 ( 7 6 ) 3 7 ( 1 8 - 2 4 - 5 8 ) 6 6 - 5 3 ( 8 2 ) 4 2 ( 2 9 - 3 1 ( 2 ) 3 ) 6 9 - 5 4 ( 8 3 ) 4 3 ( 3 0 - 3 5 - 1 4 - 9 - 8 - 1 0 - 1 5 - 3 5 ) 7 0 - 4 9 ( 7 8 ) 3 8 ( 1 9 - 2 5 - 5 9 ) 6 4 - 5 0 ( 4 1 ) 7 9 / h 8 - 1 0 , 1 4 - 1 5 , 3 1 - 3 4 , 3 6 - 4 3 , 4 5 - 4 6 , 7 3 - 7 4 H , 7 , 1 1 - 1 3 , 1 6 - 3 0 , 5 7 - 6 1 H 2 , 1 - 6 H 3 , ( H , 6 2 , 8 4 ) ( H , 6 3 , 7 5 ) ( H , 6 4 , 7 9 ) ( H , 6 5 , 7 6 ) ( H , 6 6 , 8 2 ) ( H , 6 7 , 7 7 ) ( H , 6 8 , 8 5 ) ( H , 6 9 , 8 3 ) ( H , 7 0 , 7 8 ) ( H , 7 1 , 8 1 ) ( H , 7 2 , 8 0 ) |
| InChIKey |
W Q V J H H A C X V L G B L - U H F F F A O Y S A - N
|
| Links |
|
Gene
(19 /
21)
⊖ Less
|
|
| Download gene sets |
gmt, text, Detailed text
|
