| Collection |
D4 : TTD |
| Chemical Name |
1beta-methoxy-miller-9Z-enolide ( From PubChem : C H E M B L 4 2 5 9 4 8 ) |
| 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 |
| 376.4 g/mol |
1 |
7 |
1.4233 |
True |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 2 0 H 2 4 O 7 / c 1 - 1 0 ( 2 ) 1 9 ( 2 3 ) 2 6 - 1 5 - 8 - 1 3 ( 9 - 2 1 ) 1 4 ( 2 5 - 5 ) 7 - 6 - 1 1 ( 3 ) 1 7 ( 2 2 ) 1 8 - 1 6 ( 1 5 ) 1 2 ( 4 ) 2 0 ( 2 4 ) 2 7 - 1 8 / h 8 - 9 , 1 4 - 1 8 , 2 2 H , 1 , 3 - 4 , 6 - 7 H 2 , 2 , 5 H 3 / b 1 3 - 8 + / t 1 4 - , 1 5 - , 1 6 - , 1 7 + , 1 8 + / m 1 / s 1 |
| InChIKey |
J Y J D Q G Q W A Q K P A O - F L T P F C G O 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
|
