| Collection |
D4 : TTD |
| Chemical Name |
procyanidin B-2 3,3'-di-O-gallate ( From PubChem : C H E M B L 5 0 6 8 1 1 ) |
| 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 |
| 882.729 g/mol |
14 |
20 |
4.958 |
False(1/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 4 4 H 3 4 O 2 0 / c 4 5 - 1 9 - 1 1 - 2 6 ( 5 1 ) 3 4 - 3 2 ( 1 2 - 1 9 ) 6 1 - 4 0 ( 1 6 - 2 - 4 - 2 2 ( 4 7 ) 2 5 ( 5 0 ) 6 - 1 6 ) 4 2 ( 6 4 - 4 4 ( 6 0 ) 1 8 - 9 - 3 0 ( 5 5 ) 3 8 ( 5 8 ) 3 1 ( 5 6 ) 1 0 - 1 8 ) 3 6 ( 3 4 ) 3 5 - 2 7 ( 5 2 ) 1 4 - 2 3 ( 4 8 ) 2 0 - 1 3 - 3 3 ( 6 2 - 4 3 ( 5 9 ) 1 7 - 7 - 2 8 ( 5 3 ) 3 7 ( 5 7 ) 2 9 ( 5 4 ) 8 - 1 7 ) 3 9 ( 6 3 - 4 1 ( 2 0 ) 3 5 ) 1 5 - 1 - 3 - 2 1 ( 4 6 ) 2 4 ( 4 9 ) 5 - 1 5 / h 1 - 1 2 , 1 4 , 3 3 , 3 6 , 3 9 - 4 0 , 4 2 , 4 5 - 5 8 H , 1 3 H 2 / t 3 3 - , 3 6 ? , 3 9 - , 4 0 - , 4 2 - / m 1 / s 1 |
| InChIKey |
K T L U H R S H F R O D P S - Z M S Z J Q P B S A - N
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Inhibitor | SQLE | | | Successful target |
|
| Download gene sets |
gmt, text, Detailed text
|
