Entry |
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Classification |
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Carotenoid Name
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IUPAC name |
(3S,3'S,6'R)-3-Methoxy-3'-hydroxy-beta,epsilon-caroten-4-one
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Formula |
C41H56O3
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Molecular Weight |
596.858 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 |
11 including one ketone (11 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 |
10.939
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Hydrogen Bond donors (Lipinski's definition) |
1
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Hydrogen Bond Acceptors (Lipinski's definition) |
3
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LipinskiFailures |
2
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Complexity of molecule |
0.300
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Number of heavy atoms |
44
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TPSA (Topological Polar Surface Area) |
46.530 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.272: Amy M. LaFountain, Shanti Kaligotla, Shannon Cawley, Ken M. Riedl, Steven J. Schwartz, Harry A. Frank, and Richard O. Prum, Arch Biochem Biophys. 2010 Dec 1; 504(1): 10.1016/j.abb.2010.08.006., doi: 10.1016/j.abb.2010.08.006, "Novel methoxy-carotenoids from the burgundy-colored plumage of the Pompadour Cotinga Xipholena punicea".
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CAS |
1356476-26-0
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Links to other DB |
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