| Collection |
D4 : TTD |
| Chemical Name |
Anthoptilide C ( From PubChem : A N T H O P T I L I D E C ) |
| 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 |
| 444.517 g/mol |
0 |
7 |
3.7635 |
True |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 2 5 H 3 2 O 7 / c 1 - 7 - 2 2 ( 2 8 ) 3 2 - 2 1 - 9 - 8 - 1 3 ( 2 ) 1 0 - 2 0 - 1 7 ( 1 5 ( 4 ) 2 4 ( 2 9 ) 3 1 - 2 0 ) 1 2 - 1 8 - 1 4 ( 3 ) 1 1 - 1 9 ( 2 7 ) 2 3 ( 2 5 ( 1 8 , 2 1 ) 6 ) 3 0 - 1 6 ( 5 ) 2 6 / h 1 0 - 1 1 , 1 8 , 2 0 - 2 1 , 2 3 H , 7 - 9 , 1 2 H 2 , 1 - 6 H 3 / b 1 3 - 1 0 - / t 1 8 - , 2 0 - , 2 1 + , 2 3 - , 2 5 - / m 0 / s 1 |
| InChIKey |
S O Z Y L L O A O C B Q F Q - G U N D Z K F L S A - N
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Inhibitor | ADORA1 | | | Successful target |
|
| Download gene sets |
gmt, text, Detailed text
|
