|
Entry |
|
|---|
|
Classification |
|
|---|
|
Carotenoid Name
|
3',6'-Diepilutein;
Lutein D
|
|---|
|
IUPAC name |
(3R,3'S,6'S)-beta,epsilon-Carotene-3,3'-diol
|
|---|
|
Formula |
C40H56O2
|
|---|
|
Molecular Weight |
568.848 g/mol
|
|---|
|
Structure |
Search similar carotenoids
Mol file
|
|---|
|
Carotenoid DB Fingerprints |
|
|---|
|
Biological functions/Properties |
|
|---|
Number of
conjugated double bonds |
10
|
|---|
Number of
conjugated multiple bonds |
10
|
|---|
|
Isomers |
Constitutional isomer: CA01213, CA00140, CA00078, CA00079, CA00164, CA00207, CA00208, CA00204, CA00218, CA00233, CA00234, CA00206, CA00205, CA00249, CA00248, CA00261, CA00373, CA00374, CA00327, CA00326, CA00375, CA00328, CA00329, CA00330, CA00331, CA00399, CA00435, CA00402, CA00401, CA00400, CA00430, CA00434, CA00403, CA00480, CA00582, CA01237, CA00616, CA00614, CA00623, CA00676, CA00692, CA00691, CA00689, CA00686, CA00687, CA00685, CA00682, CA00690, CA00683, CA00684, CA00688, CA01228, CA00737
Conformer: CA00597, CA00598, CA00615, CA00599
|
|---|
|
InChI |
|
|---|
|
InChIKey |
|
|---|
|
Canonical SMILES |
|
|---|
|
XLogP |
11.283
|
|---|
Hydrogen Bond donors
(Lipinski's definition) |
2
|
|---|
Hydrogen Bond Acceptors
(Lipinski's definition) |
2
|
|---|
| LipinskiFailures |
1
|
|---|
| Complexity of molecule |
0.306
|
|---|
| Number of heavy atoms |
42
|
|---|
TPSA
(Topological Polar Surface Area) |
40.460 Å2
|
|---|
|
Reaction |
|
|---|
|
Pathway |
|
|---|
|
Major carotenoid information |
|
|---|
|
Minor carotenoid information |
|
|---|
|
Source organisms |
Gymnogobius castaneus (Ref.772) - Bony fish: Rosary goby, small goby（4～6 cm body length）that inhabits the middle stretches of rivers, lakes, and lagoons in North Eastern Japan. Its tail fin is bright orange in color. (Chordata - Gobiidae)
|
|---|
|
References |
Ref.772: Takashi Maoka, J. Oleo Sci. 67, (10) 1259-1263 (2018), “New Acetylenic Carotenoid 6’-Epimonadoxanthin from the Rosary Goby Gymnogobius castaneus”, doi: 10.5650/jos.ess18153.
|
|---|
|
CAS |
89673-72-3
|
|---|
|
Links to other DB |
|
|---|
|
