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Entry |
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Classification |
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Carotenoid Name
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3-Hydroxy-4-ketotorulene;
(3R)-3-Hydroxy-4-ketotorulene
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IUPAC name |
3-Hydroxy-3',4'-didehydro-beta,psi-caroten-4-one
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Formula |
C40H52O2
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Molecular Weight |
564.816 g/mol
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Structure |
Search similar carotenoids
Mol file
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Carotenoid DB Fingerprints |
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Biological functions/Properties |
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Number of
conjugated double bonds |
14 including one ketone (14 in total)
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Number of
conjugated multiple bonds |
14 including one ketone (14 in total)
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Isomers |
Constitutional isomer: CA00183, CA00281, CA00280, CA00283, CA00323, CA00468, CA00471, CA00469, CA00470, CA00467, CA00656, CA00697, CA00698, CA00693, CA01098
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InChI |
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InChIKey |
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Canonical SMILES |
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XLogP |
12.099
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Hydrogen Bond donors
(Lipinski's definition) |
1
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Hydrogen Bond Acceptors
(Lipinski's definition) |
2
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| LipinskiFailures |
2
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| Complexity of molecule |
0.064
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| Number of heavy atoms |
42
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TPSA
(Topological Polar Surface Area) |
37.300 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.206: Takashi Maoka, Tetsuji Etoh, Ayako Osawa, and Kazutoshi Shindo, Journal of Oleo Science 61, (7), pp.401-406 (2012), "Characterization and Singlet Oxygen Quenching Activity of (3R)-3-Hydroxy-4-Ketotorulene and (3R)-3-Hydroxy-4-Keto-gamma-Carotene from the Yeast Xanthophyllomyces dendrhorous".
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CAS |
60696-28-8, 496065-81-7
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Links to other DB |
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