|
Entry |
|
|---|
|
Classification |
|
|---|
|
Carotenoid Name
| |
|---|
|
IUPAC name |
(3R)-1'-Methoxy-3',4'-didehydro-1',2'-dihydro-beta,psi-carotene-3-ol
|
|---|
|
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 |
12
|
|---|
Number of
conjugated multiple bonds |
12
|
|---|
|
Isomers |
Constitutional isomer: CA01213, CA00140, CA00078, CA00079, CA00164, CA00207, CA00208, CA00204, 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, CA00597, CA00598, CA00615, CA00599, CA00600, CA00616, CA00614, CA00623, CA00676, CA00692, CA00691, CA00689, CA00686, CA00687, CA00685, CA00682, CA00690, CA00683, CA00684, CA00688, CA01228, CA00737
|
|---|
|
InChI |
|
|---|
|
InChIKey |
|
|---|
|
Canonical SMILES |
|
|---|
|
XLogP |
11.872
|
|---|
Hydrogen Bond donors
(Lipinski's definition) |
1
|
|---|
Hydrogen Bond Acceptors
(Lipinski's definition) |
2
|
|---|
| LipinskiFailures |
2
|
|---|
| Complexity of molecule |
0.059
|
|---|
| Number of heavy atoms |
43
|
|---|
TPSA
(Topological Polar Surface Area) |
29.460 Å2
|
|---|
|
Reaction |
|
|---|
|
Pathway |
|
|---|
|
Major carotenoid information |
|
|---|
|
Minor carotenoid information |
|
|---|
|
Source organisms |
|
|---|
|
References |
Ref.364: S. Takaichi, K. Shimada, and J. Ishidsu, Arch Microbiol.(1990) 153:118-122, "Carotenoids from the aerobic photosynthetic bacterium, Erythrobacter longus: β-Carotene and its hydroxyl derivatives".
|
|---|
|
CAS |
119188-86-2
|
|---|
|
Links to other DB |
|
|---|
|
