| Collection |
D4 : TTD |
| Chemical Name |
(8R,8'R,9'S)-5-methoxyclusin ( From PubChem : C H E M B L 4 8 2 2 3 3 ) |
| 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 |
| 432.464 g/mol |
1 |
8 |
2.8159 |
True |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 2 3 H 2 8 O 8 / c 1 - 2 5 - 1 7 - 8 - 1 4 ( 9 - 1 8 ( 2 6 - 2 ) 2 1 ( 1 7 ) 2 8 - 4 ) 6 - 1 6 - 1 5 ( 1 1 - 2 9 - 2 3 ( 1 6 ) 2 4 ) 5 - 1 3 - 7 - 1 9 ( 2 7 - 3 ) 2 2 - 2 0 ( 1 0 - 1 3 ) 3 0 - 1 2 - 3 1 - 2 2 / h 7 - 1 0 , 1 5 - 1 6 , 2 3 - 2 4 H , 5 - 6 , 1 1 - 1 2 H 2 , 1 - 4 H 3 / t 1 5 - , 1 6 + , 2 3 - / m 0 / s 1 |
| InChIKey |
A D G U L O H T K S M B C P - P X A Q A L G R S A - N
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Inhibitor | CYP3A4 | | | Successful target |
|
| Download gene sets |
gmt, text, Detailed text
|
