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Entry |
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Classification |
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Carotenoid Name
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β-Ionone-5,6-epoxide;
beta-Ionone-5,6-epoxide
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IUPAC name |
9-Apo-5,6-Epoxy-beta-caroten-9-one
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Formula |
C13H20O2
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Molecular Weight |
208.29 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 |
2 including one ketone (2 in total)
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Number of
conjugated multiple bonds |
2 including one ketone (2 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 |
2.217
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Hydrogen Bond donors
(Lipinski's definition) |
0
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Hydrogen Bond Acceptors
(Lipinski's definition) |
2
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| LipinskiFailures |
0
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| Complexity of molecule |
0.200
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| Number of heavy atoms |
15
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TPSA
(Topological Polar Surface Area) |
29.600 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 |
Phormidium sp. (Ref.532) - Cyanobacteria (Cyanobacteria - Oscillatoriaceae)
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References |
Ref.532: C. Höckelmann andF. Jüttner, Flavour and Fragrance Journal, Volume 20, Issue 4, pages 387–394, July/August 2005, "Off-flavours in water: hydroxyketones and β-ionone derivatives as new odour compounds of freshwater cyanobacteria".
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CAS |
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Links to other DB |
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