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Entry |
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Classification |
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Carotenoid Name
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IUPAC name |
(3R,1'R,5'R)-3,19-Dihydroxy-3',6'-dioxo-7,8-didehydro-beta,kappa-caroten-17'-al
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Formula |
C40H50O5
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Molecular Weight |
610.800 g/mol
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Structure |
Search similar carotenoids
Mol file
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Carotenoid DB Fingerprints |
Predict biological activities of this carotenoid
(3R,1'R,5'R), 7,8--H, 3-OH, 19-OH, 17'-al, 3'=O, 6'=O, beta,kappa
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Biological functions/Properties |
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Number of
conjugated double bonds |
9 including one ketone (9 in total)
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Number of
conjugated multiple bonds |
11 including one ketone (11 in total)
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Isomers |
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InChI |
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InChIKey |
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Canonical SMILES |
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XLogP |
6.332
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Hydrogen Bond donors
(Lipinski's definition) |
2
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Hydrogen Bond Acceptors
(Lipinski's definition) |
5
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| LipinskiFailures |
2
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| Complexity of molecule |
0.316
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| Number of heavy atoms |
45
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TPSA
(Topological Polar Surface Area) |
91.670 Å2
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Reaction |
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Pathway |
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Major carotenoid information |
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Minor carotenoid information |
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Source organisms |
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References |
Ref.600: Enrique Murillo, Veronika Nagy, Attila Agócs and József Deli, Carotenoids, 2013 Nova Science Publishers, Inc., ISBN: 978-1-62808-622-5, Chapter III, "Carotenoids with κ-End Group".
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CAS |
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Links to other DB |
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