| Collection |
D4 : TTD |
| Chemical Name |
16-isobutylidene-estradiol ( From PubChem : 1 6 - I S O B U T Y L I D E N E - E S T R A D I 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 |
| 326.472 g/mol |
2 |
2 |
4.8015 |
True |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 2 2 H 3 0 O 2 / c 1 - 1 3 ( 2 ) 1 0 - 1 5 - 1 2 - 2 0 - 1 9 - 6 - 4 - 1 4 - 1 1 - 1 6 ( 2 3 ) 5 - 7 - 1 7 ( 1 4 ) 1 8 ( 1 9 ) 8 - 9 - 2 2 ( 2 0 , 3 ) 2 1 ( 1 5 ) 2 4 / h 5 , 7 , 1 0 - 1 1 , 1 3 , 1 8 - 2 1 , 2 3 - 2 4 H , 4 , 6 , 8 - 9 , 1 2 H 2 , 1 - 3 H 3 / b 1 5 - 1 0 + / t 1 8 - , 1 9 + , 2 0 - , 2 1 + , 2 2 + / m 1 / s 1 |
| InChIKey |
N O F D R M U Q Q I V A P E - K H K Y K Z C E S A - N
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Inhibitor | HSD17B1 | | | Research target |
|
| Download gene sets |
gmt, text, Detailed text
|
