| Collection |
D4 : TTD |
| Chemical Name |
2'-epi-guianin ( From PubChem : 2 ' - E P I - G U I A N 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 |
| 352.424 g/mol |
1 |
4 |
3.7734 |
True |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 2 2 H 2 4 O 4 / c 1 - 4 - 6 - 1 5 - 1 1 - 2 2 ( 9 - 5 - 2 ) 1 3 ( 3 ) 1 8 ( 1 9 ( 2 0 ( 1 5 ) 2 3 ) 2 1 ( 2 2 ) 2 4 ) 1 4 - 7 - 8 - 1 6 - 1 7 ( 1 0 - 1 4 ) 2 6 - 1 2 - 2 5 - 1 6 / h 4 - 5 , 7 - 8 , 1 0 - 1 1 , 1 3 , 1 8 - 1 9 , 2 1 , 2 4 H , 1 - 2 , 6 , 9 , 1 2 H 2 , 3 H 3 / t 1 3 - , 1 8 + , 1 9 + , 2 1 + , 2 2 + / m 1 / s 1 |
| InChIKey |
I E L Y W L B C F O C U N W - S O T L B J J P S A - N
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Inhibitor | PTGS1 | | | Successful target |
|
| Download gene sets |
gmt, text, Detailed text
|
