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Entry |
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Classification |
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Carotenoid Name
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IUPAC name |
(3R,3'S,5'R)-3,19,3',8'-Tetrahydroxy-7,8-didehydro-beta,kappa-caroten-6'-one
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Formula |
C39H52O6
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Molecular Weight |
616.806 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,3'S,5'R), 7,8--H, 3-OH, 19-OH, 3'-OH, 8'-OH, 6'=O, beta,kappa
( Help )
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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 |
6.787
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Hydrogen Bond donors
(Lipinski's definition) |
5
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Hydrogen Bond Acceptors
(Lipinski's definition) |
6
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| LipinskiFailures |
1
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| Complexity of molecule |
0.309
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| Number of heavy atoms |
45
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TPSA
(Topological Polar Surface Area) |
118.220 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 |
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CAS |
-
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Links to other DB |
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