| Collection |
D4 : TTD |
| Chemical Name |
16-beta-ethoxymethyl-estrone ( From PubChem : 1 6 - B E T A - E T H O X Y M E T H Y L - E S T R O N E ) |
| 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 |
| 328.445 g/mol |
1 |
3 |
4.08 |
True |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 2 1 H 2 8 O 3 / c 1 - 3 - 2 4 - 1 2 - 1 4 - 1 1 - 1 9 - 1 8 - 6 - 4 - 1 3 - 1 0 - 1 5 ( 2 2 ) 5 - 7 - 1 6 ( 1 3 ) 1 7 ( 1 8 ) 8 - 9 - 2 1 ( 1 9 , 2 ) 2 0 ( 1 4 ) 2 3 / h 5 , 7 , 1 0 , 1 4 , 1 7 - 1 9 , 2 2 H , 3 - 4 , 6 , 8 - 9 , 1 1 - 1 2 H 2 , 1 - 2 H 3 / t 1 4 - , 1 7 - , 1 8 + , 1 9 - , 2 1 + / m 1 / s 1 |
| InChIKey |
U O F W R C J S M Z K W L E - V P R I C Q M D 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
|
