Gene Set: D4 : TTD - apigenin-7-O-beta-D-glucuronide methyl ester
| Collection |
D4 : TTD |
| Chemical Name |
apigenin-7-O-beta-D-glucuronide methyl ester ( From PubChem : C H E M B L 4 6 4 8 6 8 ) |
| 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 |
| 460.388 g/mol |
5 |
11 |
0.2306 |
False(3/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 2 2 H 2 0 O 1 1 / c 1 - 3 0 - 2 1 ( 2 9 ) 2 0 - 1 8 ( 2 7 ) 1 7 ( 2 6 ) 1 9 ( 2 8 ) 2 2 ( 3 3 - 2 0 ) 3 1 - 1 1 - 6 - 1 2 ( 2 4 ) 1 6 - 1 3 ( 2 5 ) 8 - 1 4 ( 3 2 - 1 5 ( 1 6 ) 7 - 1 1 ) 9 - 2 - 4 - 1 0 ( 2 3 ) 5 - 3 - 9 / h 2 - 8 , 1 7 - 2 0 , 2 2 - 2 4 , 2 6 - 2 8 H , 1 H 3 / t 1 7 - , 1 8 - , 1 9 + , 2 0 - , 2 2 + / m 0 / s 1 |
| InChIKey |
X X K I W C K Z Q F B X I R - S X F A U F N Y S A - N
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Inhibitor | AKR1B1 | | | Successful target |
|
| Download gene sets |
gmt, text, Detailed text
|
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University of Colorado School of Medicine
Aurora, CO 80045, USA
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