| Collection |
D4 : TTD |
| Chemical Name |
TRIPTOCALLINE A ( From PubChem : T R I P T O C A L L I N E A ) |
| 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 |
| 442.631 g/mol |
2 |
4 |
4.8616 |
True |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 2 8 H 4 2 O 4 / c 1 - 1 5 - 1 3 - 2 1 - 2 6 ( 4 , 2 4 ( 3 2 ) 2 2 ( 1 5 ) 3 0 ) 1 0 - 1 2 - 2 7 ( 5 ) 2 0 - 8 - 7 - 1 7 - 1 6 ( 2 ) 2 3 ( 3 1 ) 1 9 ( 2 9 ) 1 4 - 1 8 ( 1 7 ) 2 5 ( 2 0 , 3 ) 9 - 1 1 - 2 8 ( 2 1 , 2 7 ) 6 / h 1 5 , 1 8 - 2 1 , 2 4 , 2 9 , 3 2 H , 7 - 1 4 H 2 , 1 - 6 H 3 / t 1 5 - , 1 8 - , 1 9 + , 2 0 + , 2 1 - , 2 4 - , 2 5 + , 2 6 - , 2 7 - , 2 8 + / m 1 / s 1 |
| InChIKey |
U U G C G H A F Z P E H I C - O I O G I D C R S A - N
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Inhibitor | AKR1B1 | | | Successful target |
|
| Download gene sets |
gmt, text, Detailed text
|
