Entry |
|
Classification |
|
Carotenoid Name
| |
IUPAC name |
5-Hydroxy-5,6-seco-beta,beta-caroten-6-one
|
Formula |
C40H58O2
|
Molecular Weight |
570.864 g/mol
|
Structure |
Search similar carotenoids

Mol file
|
Carotenoid DB Fingerprints |
|
Biological functions/Properties |
|
Number of conjugated double bonds |
11 including one ketone (11 in total)
|
Number of conjugated multiple bonds |
11 including one ketone (11 in total)
|
Isomers |
Constitutional isomer: CA00084, CA00085, CA01053, CA01056, CA00209, CA00224, CA00303, CA00334, CA00332, CA00482, CA00617
|
InChI |
|
InChIKey |
|
Canonical SMILES |
|
XLogP |
11.919
|
Hydrogen Bond donors (Lipinski's definition) |
1
|
Hydrogen Bond Acceptors (Lipinski's definition) |
2
|
LipinskiFailures |
2
|
Complexity of molecule |
0.060
|
Number of heavy atoms |
42
|
TPSA (Topological Polar Surface Area) |
37.300 Å2
|
Reaction |
|
Pathway |
|
Major carotenoid information |
|
Minor carotenoid information |
|
Source organisms |
|
References |
Ref.222: Cardini, Franco; Pucci, Susanna; Calamassi, Roberto, Journal of Plant Physiology (2006), 163(2), 128-140., "Quantitative variations of individual carotenoids in relationship with the leaflet development of six species of the genus Ceratozamia (Cycads)". Ref.774: Antonio Selva et al., “Ceratozamiaxanthin: A Novel Keto-Carotenoid from Young Leaves of Two Cycads”.
|
CAS |
126223-72-1
|
Links to other DB |
|
|