| Collection |
D4 : TTD |
| Chemical Name |
12-Phenylheme ( From PubChem : 1 2 - P H E N Y L H E M 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 |
| 694.599 g/mol |
2 |
6 |
4.6506 |
False(3/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 4 0 H 4 0 N 4 O 4 . F e / c 1 - 7 - 2 6 - 2 4 ( 6 ) 3 9 - 3 8 ( 2 5 - 1 2 - 1 0 - 9 - 1 1 - 1 3 - 2 5 ) 4 0 - 2 7 ( 8 - 2 ) 2 1 ( 3 ) 3 2 ( 4 3 - 4 0 ) 1 8 - 3 0 - 2 2 ( 4 ) 2 8 ( 1 4 - 1 6 - 3 6 ( 4 5 ) 4 6 ) 3 4 ( 4 1 - 3 0 ) 2 0 - 3 5 - 2 9 ( 1 5 - 1 7 - 3 7 ( 4 7 ) 4 8 ) 2 3 ( 5 ) 3 1 ( 4 2 - 3 5 ) 1 9 - 3 3 ( 2 6 ) 4 4 - 3 9 ; / h 7 - 1 3 , 1 8 - 2 0 , 2 4 , 2 6 H , 1 - 2 , 1 4 - 1 7 H 2 , 3 - 6 H 3 , ( H 4 , 4 1 , 4 2 , 4 3 , 4 4 , 4 5 , 4 6 , 4 7 , 4 8 ) ; / q ; + 2 / p - 2 |
| InChIKey |
O D M H O W C U Y F S O D S - U H F F F A O Y S A - L
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Inhibitor | HMOX1 | | | Clinical trial target |
|
| Download gene sets |
gmt, text, Detailed text
|
