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Entry |
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Classification |
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Carotenoid Name
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α-Doradecin;
alpha-Doradecin
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IUPAC name |
3,3'-Dihydroxy-2,3-didehydro-beta,epsilon-caroten-4-one
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Formula |
C40H52O3
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Molecular Weight |
580.816 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 |
12 including one ketone (12 in total)
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Number of
conjugated multiple bonds |
12 including one ketone (12 in total)
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Isomers |
Constitutional isomer: CA01222, CA00335, CA00336, CA00545, CA00486, CA00487, CA00488, CA00546, CA00484, CA00485, CA00544, CA00547, CA00658, CA01208, CA00783
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InChI |
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InChIKey |
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Canonical SMILES |
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XLogP |
12.000
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Hydrogen Bond donors
(Lipinski's definition) |
2
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Hydrogen Bond Acceptors
(Lipinski's definition) |
3
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| LipinskiFailures |
1
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| Complexity of molecule |
0.316
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| Number of heavy atoms |
43
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TPSA
(Topological Polar Surface Area) |
57.530 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 |
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CAS |
31460-53-4
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Links to other DB |
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