| Collection |
D4 : TTD |
| Chemical Name |
CIRSIMARIN ( From PubChem : C I R S I M A R I N ) |
| 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 |
| 476.43 g/mol |
5 |
11 |
0.3615 |
False(3/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 2 3 H 2 4 O 1 1 / c 1 - 3 0 - 1 5 - 8 - 1 4 - 1 7 ( 1 9 ( 2 7 ) 2 2 ( 1 5 ) 3 1 - 2 ) 1 2 ( 2 5 ) 7 - 1 3 ( 3 3 - 1 4 ) 1 0 - 3 - 5 - 1 1 ( 6 - 4 - 1 0 ) 3 2 - 2 3 - 2 1 ( 2 9 ) 2 0 ( 2 8 ) 1 8 ( 2 6 ) 1 6 ( 9 - 2 4 ) 3 4 - 2 3 / h 3 - 8 , 1 6 , 1 8 , 2 0 - 2 1 , 2 3 - 2 4 , 2 6 - 2 9 H , 9 H 2 , 1 - 2 H 3 / t 1 6 - , 1 8 - , 2 0 + , 2 1 - , 2 3 - / m 1 / s 1 |
| InChIKey |
R E T J L K U B H X T I G H - F Z F R B N D O 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
|
