| Collection |
D4 : TTD |
| Chemical Name |
helenalin-2-methylbutyrate ( From PubChem : H E L E N A L I N - 2 - M E T H Y L 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 |
| 346.417 g/mol |
0 |
5 |
2.8433 |
True |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 2 0 H 2 6 O 5 / c 1 - 6 - 1 0 ( 2 ) 1 8 ( 2 2 ) 2 5 - 1 7 - 1 6 - 1 2 ( 4 ) 1 9 ( 2 3 ) 2 4 - 1 4 ( 1 6 ) 9 - 1 1 ( 3 ) 1 3 - 7 - 8 - 1 5 ( 2 1 ) 2 0 ( 1 3 , 1 7 ) 5 / h 7 - 8 , 1 0 - 1 1 , 1 3 - 1 4 , 1 6 - 1 7 H , 4 , 6 , 9 H 2 , 1 - 3 , 5 H 3 / t 1 0 - , 1 1 - , 1 3 + , 1 4 - , 1 6 - , 1 7 - , 2 0 + / m 1 / s 1 |
| InChIKey |
I F E H N U Q N A A T Z S J - L M N G A O L L S A - N
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Inhibitor | RELA | | | Research target |
|
| Download gene sets |
gmt, text, Detailed text
|
