| Collection |
D4 : TTD |
| Chemical Name |
ALBANOL A ( From PubChem : 8 7 0 8 5 - 0 0 - 5 ) |
| 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 |
| 562.565 g/mol |
5 |
8 |
7.0992 |
False(2/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 3 4 H 2 6 O 8 / c 1 - 1 6 - 8 - 2 3 - 2 2 - 6 - 4 - 2 1 ( 3 7 ) 1 5 - 3 0 ( 2 2 ) 4 1 - 3 4 ( 2 5 - 7 - 5 - 1 9 ( 3 5 ) 1 3 - 2 6 ( 2 5 ) 3 8 ) 3 3 ( 2 3 ) 2 4 ( 9 - 1 6 ) 3 2 - 2 7 ( 3 9 ) 1 0 - 1 8 ( 1 2 - 3 1 ( 3 2 ) 4 2 - 3 4 ) 2 8 - 1 1 - 1 7 - 2 - 3 - 2 0 ( 3 6 ) 1 4 - 2 9 ( 1 7 ) 4 0 - 2 8 / h 2 - 7 , 9 - 1 5 , 2 3 - 2 4 , 3 3 , 3 5 - 3 9 H , 8 H 2 , 1 H 3 / t 2 3 - , 2 4 - , 3 3 - , 3 4 + / m 0 / s 1 |
| InChIKey |
M J J W B J F Y Y R A Y K U - O P K N D J P N S A - N
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Inhibitor | CYP19A1 | | | Successful target |
|
| Download gene sets |
gmt, text, Detailed text
|
