| Collection |
D4 : TTD |
| Chemical Name |
phorbol 12,13-butyrate ( From PubChem : P H O R B O L 1 2 , 1 3 - D I B U T Y R A T E ) |
| 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 |
| 504.612 g/mol |
3 |
8 |
2.6321 |
False(3/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 2 8 H 4 0 O 8 / c 1 - 7 - 9 - 2 0 ( 3 0 ) 3 5 - 2 4 - 1 6 ( 4 ) 2 7 ( 3 4 ) 1 8 ( 2 2 - 2 5 ( 5 , 6 ) 2 8 ( 2 2 , 2 4 ) 3 6 - 2 1 ( 3 1 ) 1 0 - 8 - 2 ) 1 2 - 1 7 ( 1 4 - 2 9 ) 1 3 - 2 6 ( 3 3 ) 1 9 ( 2 7 ) 1 1 - 1 5 ( 3 ) 2 3 ( 2 6 ) 3 2 / h 1 1 - 1 2 , 1 6 , 1 8 - 1 9 , 2 2 , 2 4 , 2 9 , 3 3 - 3 4 H , 7 - 1 0 , 1 3 - 1 4 H 2 , 1 - 6 H 3 / t 1 6 - , 1 8 + , 1 9 - , 2 2 - , 2 4 - , 2 6 - , 2 7 - , 2 8 - / m 1 / s 1 |
| InChIKey |
B Q J R U J T Z S G Y B E Z - Y V Q N U N K E S A - N
|
| Links |
|
Gene
(5 /
6)
⊖ Less
|
|
| Download gene sets |
gmt, text, Detailed text
|
