|
Entry |
|
|---|
|
Classification |
|
|---|
|
Carotenoid Name
|
(4S)-4-Hydroxyalloxanthin
|
|---|
|
IUPAC name |
(3S,4S,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,4S,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: CA00335
|
|---|
|
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 |
Ref.365: Masahiro Ohkubo, Miyuki Tsushima, Takashi Maoka, Takao Matsuno, Comparative Biochemistry and Physiology Part B: Biochemistry and Molecular Biology, Volume 124, Issue 3, November 1999, Pages 333–340, "Carotenoids and their metabolism in the goldfish Carassius auratus (Hibuna)".
|
|---|
|
CAS |
117505-26-7
|
|---|
|
Links to other DB |
|
|---|
|
