|
Entry |
|
|---|
|
Classification |
|
|---|
|
Carotenoid Name
|
α-Doradexanthin;
alpha-Doradexanthin
|
|---|
|
IUPAC name |
3,3'-Dihydroxy-beta,epsilon-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 |
11 including one ketone (11 in total)
|
|---|
Number of
conjugated multiple bonds |
11 including one ketone (11 in total)
|
|---|
|
Isomers |
Constitutional isomer: CA00226, CA00271, CA00262, CA00263, CA00264, CA00337, CA00978, CA00406, CA01085, CA01086, CA00980, CA00404, CA00405, CA00533, CA01052, CA00489, CA00490, CA00605, CA00642, CA00659, CA01051, CA00703, CA00738
|
|---|
|
InChI |
|
|---|
|
InChIKey |
|
|---|
|
Canonical SMILES |
|
|---|
|
XLogP |
10.849
|
|---|
Hydrogen Bond donors
(Lipinski's definition) |
2
|
|---|
Hydrogen Bond Acceptors
(Lipinski's definition) |
3
|
|---|
| LipinskiFailures |
1
|
|---|
| Complexity of molecule |
0.309
|
|---|
| Number of heavy atoms |
43
|
|---|
TPSA
(Topological Polar Surface Area) |
57.530 Å2
|
|---|
|
Reaction |
|
|---|
|
Pathway |
|
|---|
|
Major carotenoid information |
|
|---|
|
Minor carotenoid information |
|
|---|
|
Source organisms |
|
|---|
|
References |
Ref.444: LaFountain, Amy M.; Frank, Harry A.; Prum, Richard O., Archives of Biochemistry and Biophysics (2013), 539(2), 126-132., "Carotenoids from the crimson and maroon plumages of Old World orioles (Oriolidae)".
Ref.609: Prof. Dr. B. Czeczuga and Doz. Dr. R. Doll, Journal of Botanical Taxonomy and Geobatany, Volume 102, Issue 5-6, pages 431–436, 1991, DOI: 10.1002/fedr.19911020518, "The carotenoid content of lichens of the Cladonia genus from Mecklenburg".
|
|---|
|
CAS |
29125-77-7
|
|---|
|
Links to other DB |
|
|---|
|
