Gene Set: D4 : Boss - 3-caffeoylquinate
| Collection |
D4 : Boss |
| Chemical Name |
3-caffeoylquinate ( From PubChem : C H L O R O G E N I C A C I D ) |
| FDA |
NPC |
WHO |
Indian |
Australia |
China |
Traditional
Herbal |
Clinical
Trail |
| Not | Not | Not | Not | Not | Not | Approved | Not |
|
Molecular
Weight |
Hydrogen Bond
Donor Count |
Hydrogen Bond
Acceptor Count |
cLogP |
Lipinski Rule |
| 354.309 g/mol |
6 |
9 |
-0.6459 |
False(3/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 1 6 H 1 8 O 9 / c 1 7 - 9 - 3 - 1 - 8 ( 5 - 1 0 ( 9 ) 1 8 ) 2 - 4 - 1 3 ( 2 0 ) 2 5 - 1 2 - 7 - 1 6 ( 2 4 , 1 5 ( 2 2 ) 2 3 ) 6 - 1 1 ( 1 9 ) 1 4 ( 1 2 ) 2 1 / h 1 - 5 , 1 1 - 1 2 , 1 4 , 1 7 - 1 9 , 2 1 , 2 4 H , 6 - 7 H 2 , ( H , 2 2 , 2 3 ) / b 4 - 2 + / t 1 1 - , 1 2 - , 1 4 - , 1 6 + / m 1 / s 1 |
| InChIKey |
C W V R J T M F E T X N A D - J U H Z A C G L S A - N
|
| Links |
|
Gene
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41)
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12801 East 17th Avenue
Division of Medical Oncology , Department of Medicine
University of Colorado School of Medicine
Aurora, CO 80045, USA
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