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Entry |
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Classification |
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Carotenoid Name
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IUPAC name |
(3S,5R,6S,6'R)-5,6-Epoxy-3-hydroxy-3'-oxo-5,6,7',8'-tetrahydro-beta,epsilon-caroten-19',11'-olide
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Formula |
C40H52O5
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Molecular Weight |
612.816 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
(3S,5R,6S,6'R), 5,6+H, 7',8'+H, 3-OH, 3'=O, 5,6-Epoxy, 19',11'-olide, beta,epsilon
( Help )
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Biological functions/Properties |
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Number of
conjugated double bonds |
9 and 2 including one lactone and one ketone (11 in total)
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Number of
conjugated multiple bonds |
9 and 2 including one lactone and 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 |
8.316
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Hydrogen Bond donors
(Lipinski's definition) |
1
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Hydrogen Bond Acceptors
(Lipinski's definition) |
5
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| LipinskiFailures |
1
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| Complexity of molecule |
0.340
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| Number of heavy atoms |
45
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TPSA
(Topological Polar Surface Area) |
76.130 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.46: E. S. Egeland, R. R. L. Guillard, and S. Liaaen-Jensen, Phytochemistry, Vol. 44, No. 6, pp.1087-1097, 1997, "Additional carotenoid prototype representatices and general chemosystematic evaluation of carotenoids in prasinophyceae (chlorophyta)".
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CAS |
168781-50-8
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Links to other DB |
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