| Collection |
D4 : TTD |
| Chemical Name |
SYMBIOPOLYOL ( From PubChem : S Y M B I O P O L Y O L ) |
| 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 |
| 1243.47 g/mol |
17 |
23 |
1.5076 |
False(1/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 6 0 H 1 0 0 O 2 3 S . N a / c 1 - 5 - 6 - 7 - 8 - 9 - 1 0 - 1 1 - 1 2 - 1 3 - 1 4 - 1 7 - 2 0 - 2 6 - 4 4 ( 6 5 ) 5 4 ( 7 3 ) 5 9 - 5 7 ( 7 6 ) 4 8 ( 6 9 ) 3 6 - 5 0 ( 8 3 - 5 9 ) 5 8 ( 7 7 ) 5 1 ( 7 0 ) 3 8 ( 3 ) 2 9 - 3 1 - 4 2 ( 6 3 ) 4 9 - 3 5 - 4 7 ( 6 8 ) 5 6 ( 7 5 ) 6 0 ( 8 2 - 4 9 ) 5 5 ( 7 4 ) 4 5 ( 6 6 ) 3 3 - 3 7 ( 2 ) 2 8 - 3 0 - 4 1 ( 6 2 ) 3 4 - 4 6 ( 6 7 ) 5 3 ( 7 2 ) 3 9 ( 4 ) 5 2 ( 7 1 ) 4 3 ( 6 4 ) 2 7 - 2 2 - 2 1 - 2 5 - 4 0 ( 6 1 ) 2 4 - 1 9 - 1 6 - 1 5 - 1 8 - 2 3 - 3 2 - 8 1 - 8 4 ( 7 8 , 7 9 ) 8 0 ; / h 5 , 8 - 1 3 , 1 9 - 2 2 , 2 4 , 2 6 , 3 3 , 3 9 - 7 7 H , 1 , 3 , 6 - 7 , 1 4 - 1 8 , 2 3 , 2 5 , 2 7 - 3 2 , 3 4 - 3 6 H 2 , 2 , 4 H 3 , ( H , 7 8 , 7 9 , 8 0 ) ; / q ; + 1 / p - 1 / b 9 - 8 + , 1 1 - 1 0 + , 1 3 - 1 2 + , 2 2 - 2 1 + , 2 4 - 1 9 + , 2 6 - 2 0 + , 3 7 - 3 3 + ; / t 3 9 ? , 4 0 ? , 4 1 - , 4 2 + , 4 3 ? , 4 4 + , 4 5 + , 4 6 - , 4 7 + , 4 8 + , 4 9 ? , 5 0 ? , 5 1 - , 5 2 ? , 5 3 + , 5 4 - , 5 5 - , 5 6 + , 5 7 + , 5 8 - , 5 9 ? , 6 0 ? ; / m 0 . / s 1 |
| InChIKey |
F T L C R L M I O G R C R I - I M X P C Z E Y S A - M
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Inhibitor | VCAM1 | | | Research target |
|
| Download gene sets |
gmt, text, Detailed text
|
