| Collection |
D4 : TTD |
| Chemical Name |
Coumermycin A1 ( From PubChem : C I D 1 1 7 8 8 0 8 5 ) |
| 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 |
| 1110.08 g/mol |
9 |
22 |
5.7179 |
False(0/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 5 5 H 5 9 N 5 O 2 0 / c 1 - 2 1 - 1 2 - 1 6 - 2 9 ( 5 7 - 2 1 ) 4 8 ( 6 7 ) 7 7 - 4 2 - 3 8 ( 6 3 ) 5 2 ( 7 9 - 5 4 ( 6 , 7 ) 4 4 ( 4 2 ) 7 1 - 1 0 ) 7 3 - 3 1 - 1 8 - 1 4 - 2 6 - 3 6 ( 6 1 ) 3 4 ( 5 0 ( 6 9 ) 7 5 - 4 0 ( 2 6 ) 2 4 ( 3 1 ) 4 ) 5 9 - 4 6 ( 6 5 ) 2 8 - 2 0 - 5 6 - 3 3 ( 2 3 ( 2 8 ) 3 ) 4 7 ( 6 6 ) 6 0 - 3 5 - 3 7 ( 6 2 ) 2 7 - 1 5 - 1 9 - 3 2 ( 2 5 ( 5 ) 4 1 ( 2 7 ) 7 6 - 5 1 ( 3 5 ) 7 0 ) 7 4 - 5 3 - 3 9 ( 6 4 ) 4 3 ( 4 5 ( 7 2 - 1 1 ) 5 5 ( 8 , 9 ) 8 0 - 5 3 ) 7 8 - 4 9 ( 6 8 ) 3 0 - 1 7 - 1 3 - 2 2 ( 2 ) 5 8 - 3 0 / h 1 2 - 2 0 , 3 8 - 3 9 , 4 2 - 4 5 , 5 2 - 5 3 , 5 6 - 5 8 , 6 3 - 6 4 , 6 9 - 7 0 H , 1 - 1 1 H 3 , ( H , 5 9 , 6 5 ) ( H , 6 0 , 6 6 ) / t 3 8 - , 3 9 - , 4 2 + , 4 3 + , 4 4 - , 4 5 - , 5 2 - , 5 3 - / m 1 / s 1 |
| InChIKey |
S E K Y Y Z Q V I O Q X G F - D H F G X M A Y S A - N
|
| Links |
|
Gene
(3 /
12)
⊖ Less
|
|
| Download gene sets |
gmt, text, Detailed text
|
