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Entry |
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Classification |
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Carotenoid Name
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4'-Hydroxy-4-ketopirardixanthin
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IUPAC name |
(5S,6S,4'S,5'S,6'S)-4'-Hydroxy-5,6,5',6'-tetrahydro-beta,beta-caroten-4-one
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Formula |
C40H58O2
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Molecular Weight |
570.864 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
(5S,6S,4'S,5'S,6'S), 5,6+H, 5',6'+H, 4'-OH, 4=O, beta,beta
( Help )
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Biological functions/Properties |
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Number of
conjugated double bonds |
9
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Number of
conjugated multiple bonds |
9
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Isomers |
Constitutional isomer: CA00084, CA00085, CA01053, CA01056, CA00209, CA00224, CA00303, CA00334, CA00332, CA00574, CA00617
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InChI |
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InChIKey |
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Canonical SMILES |
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XLogP |
12.339
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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 |
1
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| Complexity of molecule |
0.300
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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 |
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CAS |
98502-72-8
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Links to other DB |
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