| Collection |
D4 : TTD |
| Chemical Name |
NEODYSIDENIN ( From PubChem : N E O D Y S I D E 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 |
| 546.166 g/mol |
1 |
6 |
6.331 |
False(2/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 1 7 H 2 3 C l 6 N 3 O 2 S / c 1 - 9 ( 1 6 ( 1 8 , 1 9 ) 2 0 ) 7 - 1 2 ( 2 5 - 1 3 ( 2 7 ) 8 - 1 0 ( 2 ) 1 7 ( 2 1 , 2 2 ) 2 3 ) 1 5 ( 2 8 ) 2 6 ( 4 ) 1 1 ( 3 ) 1 4 - 2 4 - 5 - 6 - 2 9 - 1 4 / h 5 - 6 , 9 - 1 2 H , 7 - 8 H 2 , 1 - 4 H 3 , ( H , 2 5 , 2 7 ) / t 9 - , 1 0 - , 1 1 + , 1 2 - / m 0 / s 1 |
| InChIKey |
M B V Q T L X B Q H Z L R O - Y F K T T Z P Y S A - N
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Inhibitor | ALOX12 | | | Research target |
|
| Download gene sets |
gmt, text, Detailed text
|
