Entry |
|
Classification |
|
Carotenoid Name
|
1',2'-Dihydroxy-4-ketotorulene
|
IUPAC name |
1',2'-Dihydroxy-3',4'-didehydro-1',2'-dihydro-beta,psi-caroten-4-one
|
Formula |
C40H54O3
|
Molecular Weight |
582.832 g/mol
|
Structure |
Search similar carotenoids
Mol file
|
Carotenoid DB Fingerprints |
|
Biological functions/Properties |
|
Number of conjugated double bonds |
12 including one ketone (12 in total)
|
Number of conjugated multiple bonds |
12 including one ketone (12 in total)
|
Isomers |
Constitutional isomer: CA00262, CA00263, CA00264, CA00337, CA00978, CA00406, CA01085, CA01086, CA00980, CA00404, CA00405, CA00533, CA01052, CA00489, CA00490, CA00605, CA00643, CA00641, CA00639, CA00660, CA00640, CA00642, CA00638, CA00659, CA01051, CA00703, CA00738
|
InChI |
|
InChIKey |
|
Canonical SMILES |
|
XLogP |
10.490
|
Hydrogen Bond donors (Lipinski's definition) |
2
|
Hydrogen Bond Acceptors (Lipinski's definition) |
3
|
LipinskiFailures |
2
|
Complexity of molecule |
0.062
|
Number of heavy atoms |
43
|
TPSA (Topological Polar Surface Area) |
57.530 Å2
|
Reaction |
|
Pathway |
|
Major carotenoid information |
|
Minor carotenoid information |
|
Source organisms |
Myxococcus fulvus - Deltaproteobacteria: halotolerant marine myxobacterium (Deltaproteobacteria - Myxococcaceae)
|
References |
|
CAS |
-
|
Links to other DB |
|
|