| Collection |
D4 : TTD |
| Chemical Name |
9alpha-acetoxy-miller-1(10)Z-enolide ( From PubChem : C H E M B L 4 3 3 9 7 1 ) |
| 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 |
| 404.41 g/mol |
1 |
8 |
1.34 |
True |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 2 1 H 2 4 O 8 / c 1 - 1 0 ( 2 ) 2 0 ( 2 5 ) 2 9 - 1 9 - 1 5 - 1 2 ( 4 ) 2 1 ( 2 6 ) 2 8 - 1 8 ( 1 5 ) 1 6 ( 2 4 ) 1 1 ( 3 ) 7 - 6 - 8 - 1 4 ( 9 - 2 2 ) 1 7 ( 1 9 ) 2 7 - 1 3 ( 5 ) 2 3 / h 8 - 9 , 1 5 - 1 9 , 2 4 H , 1 , 3 - 4 , 6 - 7 H 2 , 2 , 5 H 3 / b 1 4 - 8 - / t 1 5 - , 1 6 - , 1 7 - , 1 8 - , 1 9 - / m 0 / s 1 |
| InChIKey |
Q C T Y K E D N I P K Z D W - Q H W U S F J T 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
|
