Entry |
|
Classification |
|
Carotenoid Name
|
(4R)-4-Hydroxyalloxanthin
|
IUPAC name |
(3S,4R,3'R)-7,8,7',8'-Tetradehydro-beta,beta-carotene-3,4,3'-triol
|
Formula |
C40H52O3
|
Molecular Weight |
580.816 g/mol
|
Structure |
Search similar carotenoids

Mol file
|
Carotenoid DB Fingerprints |
Predict biological activities of this carotenoid
(3S,4R,3'R), 7,8--H, 7',8'--H, 3-OH, 4-OH, 3'-OH, beta,beta
( Help )
|
Biological functions/Properties |
|
Number of conjugated double bonds |
7
|
Number of conjugated multiple bonds |
7
|
Isomers |
Constitutional isomer: CA01222, CA00545, CA00486, CA00487, CA00488, CA00546, CA00484, CA00485, CA00544, CA00547, CA00637, CA00658, CA01208, CA00783 Conformer: CA00336
|
InChI |
|
InChIKey |
|
Canonical SMILES |
|
XLogP |
9.739
|
Hydrogen Bond donors (Lipinski's definition) |
3
|
Hydrogen Bond Acceptors (Lipinski's definition) |
3
|
LipinskiFailures |
1
|
Complexity of molecule |
0.316
|
Number of heavy atoms |
43
|
TPSA (Topological Polar Surface Area) |
60.690 Å2
|
Reaction |
|
Pathway |
|
Major carotenoid information |
|
Minor carotenoid information |
|
Source organisms |
|
References |
|
CAS |
117604-72-5
|
Links to other DB |
|
|