|
Entry |
|
|---|
|
Classification |
|
|---|
|
Carotenoid Name
| |
|---|
|
IUPAC name |
(3R,6'R)-3',4'-Didehydro-beta,gamma-caroten-3-ol
|
|---|
|
Formula |
C40H54O
|
|---|
|
Molecular Weight |
550.832 g/mol
|
|---|
|
Structure |
Search similar carotenoids
Mol file
|
|---|
|
Carotenoid DB Fingerprints |
|
|---|
|
Biological functions/Properties |
|
|---|
Number of
conjugated double bonds |
10 and 2 (12 in total)
|
|---|
Number of
conjugated multiple bonds |
10 and 2 (12 in total)
|
|---|
|
Isomers |
Constitutional isomer: CA00121, CA00159, CA00154, CA00222, CA00223, CA00197, CA00256, CA00711, CA00370, CA00369, CA00966, CA00462, CA00461, CA00590, CA00589, CA00634, CA00654, CA00655
|
|---|
|
InChI |
|
|---|
|
InChIKey |
|
|---|
|
Canonical SMILES |
|
|---|
|
XLogP |
13.033
|
|---|
Hydrogen Bond donors
(Lipinski's definition) |
1
|
|---|
Hydrogen Bond Acceptors
(Lipinski's definition) |
1
|
|---|
| LipinskiFailures |
1
|
|---|
| Complexity of molecule |
0.316
|
|---|
| Number of heavy atoms |
41
|
|---|
TPSA
(Topological Polar Surface Area) |
20.230 Å2
|
|---|
|
Reaction |
|
|---|
|
Pathway |
|
|---|
|
Major carotenoid information |
|
|---|
|
Minor carotenoid information |
|
|---|
|
Source organisms |
|
|---|
|
References |
Ref.221: Maoka, Takashi; Fujiwara, Yasuhiro; Hashimoto, Keiji; Akimoto, Naoshige, Journal of Agricultural and Food Chemistry (2005), 53(21), 8357-8364. "Carotenoids in Three Species of Corbicula Clams, Corbicula japonica, Corbicula sandai, and Corbicula sp. (Chinese Freshwater Corbicula Clam)".
Ref.318: Tadashi YOKOTA, Hideo ETOH, Shunji OSHIMA, Kirou HAYAKAWA and Yukio ISHIGURO, Bioscience, Biotechnology, and Biochemistry, Volume 67, Issue 12, 2003, "Oxygenated Lycopene and Dehydrated Lutein in Tomato Puree".
|
|---|
|
CAS |
92760-20-8
|
|---|
|
Links to other DB |
|
|---|
|
