| Collection |
D4 : CTD |
| Chemical Name |
doramectin ( From PubChem : D O R A M E C T 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 |
| 899.114 g/mol |
3 |
14 |
5.9116 |
False(1/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 5 0 H 7 4 O 1 4 / c 1 - 2 7 - 1 3 - 1 2 - 1 6 - 3 4 - 2 6 - 5 7 - 4 7 - 4 2 ( 5 1 ) 3 0 ( 4 ) 2 1 - 3 7 ( 5 0 ( 3 4 , 4 7 ) 5 4 ) 4 8 ( 5 3 ) 6 0 - 3 6 - 2 2 - 3 5 ( 6 3 - 4 9 ( 2 5 - 3 6 ) 2 0 - 1 9 - 2 9 ( 3 ) 4 5 ( 6 4 - 4 9 ) 3 3 - 1 4 - 1 0 - 9 - 1 1 - 1 5 - 3 3 ) 1 8 - 1 7 - 2 8 ( 2 ) 4 4 ( 2 7 ) 6 1 - 4 1 - 2 4 - 3 9 ( 5 6 - 8 ) 4 6 ( 3 2 ( 6 ) 5 9 - 4 1 ) 6 2 - 4 0 - 2 3 - 3 8 ( 5 5 - 7 ) 4 3 ( 5 2 ) 3 1 ( 5 ) 5 8 - 4 0 / h 1 2 - 1 3 , 1 6 - 1 7 , 1 9 - 2 1 , 2 7 , 2 9 , 3 1 - 3 3 , 3 5 - 4 7 , 5 1 - 5 2 , 5 4 H , 9 - 1 1 , 1 4 - 1 5 , 1 8 , 2 2 - 2 6 H 2 , 1 - 8 H 3 / b 1 3 - 1 2 + , 2 8 - 1 7 + , 3 4 - 1 6 + / t 2 7 - , 2 9 - , 3 1 - , 3 2 - , 3 5 ? , 3 6 ? , 3 7 ? , 3 8 - , 3 9 - , 4 0 - , 4 1 - , 4 2 + , 4 3 - , 4 4 ? , 4 5 ? , 4 6 ? , 4 7 ? , 4 9 + , 5 0 + / m 0 / s 1 |
| InChIKey |
Q L F Z Z S K T J W D Q O S - Y T B Q S V A D S A - N
|
| Links |
|
Gene
(2 /
3)
⊖ Less
|
|
| Download gene sets |
gmt, text, Detailed text
|
