| Collection |
D4 : TTD |
| Chemical Name |
CALCEOLARIOSIDE B ( From PubChem : C A L C E O L A R I O S I D E B ) |
| 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 |
| 478.446 g/mol |
7 |
11 |
0.1323 |
False(2/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 2 3 H 2 6 O 1 1 / c 2 4 - 1 4 - 4 - 1 - 1 2 ( 9 - 1 6 ( 1 4 ) 2 6 ) 3 - 6 - 1 9 ( 2 8 ) 3 3 - 1 1 - 1 8 - 2 0 ( 2 9 ) 2 1 ( 3 0 ) 2 2 ( 3 1 ) 2 3 ( 3 4 - 1 8 ) 3 2 - 8 - 7 - 1 3 - 2 - 5 - 1 5 ( 2 5 ) 1 7 ( 2 7 ) 1 0 - 1 3 / h 1 - 6 , 9 - 1 0 , 1 8 , 2 0 - 2 7 , 2 9 - 3 1 H , 7 - 8 , 1 1 H 2 / b 6 - 3 + / t 1 8 - , 2 0 - , 2 1 + , 2 2 - , 2 3 - / m 1 / s 1 |
| InChIKey |
L F K Q V V D F N H D Y N K - F O X C E T O M S A - N
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Inhibitor | PRKCA | | | Clinical trial target |
|
| Download gene sets |
gmt, text, Detailed text
|
