| Collection |
D4 : TTD |
| Chemical Name |
12-O-deacetyl-12-epi-19-deoxy-21-hydroxyscalarin ( From PubChem : C H E M B L 2 5 1 6 9 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 |
| 402.567 g/mol |
2 |
4 |
4.0979 |
True |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 2 5 H 3 8 O 4 / c 1 - 2 2 ( 1 4 - 2 6 ) 9 - 5 - 1 0 - 2 3 ( 2 ) 1 7 ( 2 2 ) 8 - 1 1 - 2 4 ( 3 ) 1 8 - 7 - 6 - 1 5 - 1 6 ( 1 3 - 2 9 - 2 1 ( 1 5 ) 2 8 ) 2 5 ( 1 8 , 4 ) 2 0 ( 2 7 ) 1 2 - 1 9 ( 2 3 ) 2 4 / h 6 , 1 6 - 2 0 , 2 6 - 2 7 H , 5 , 7 - 1 4 H 2 , 1 - 4 H 3 / t 1 6 - , 1 7 - , 1 8 - , 1 9 + , 2 0 + , 2 2 - , 2 3 - , 2 4 - , 2 5 + / m 0 / s 1 |
| InChIKey |
L X W M X T K O J P F G P W - N F X G R N O L S A - N
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Inhibitor | NR1H4 | | | Successful target |
|
| Download gene sets |
gmt, text, Detailed text
|
