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Entry |
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Classification |
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Carotenoid Name
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Tectoionols A;
(9S)-4-oxo-7,8-dihydro-β-ionol
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IUPAC name |
(3S,5R,6S)-9-Apo-6,9-epoxy-5,6,7,8-tetrahydro-beta-caroten-3,5-diol
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Formula |
C13H24O3
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Molecular Weight |
228.322 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
(3S,5R,6S), 6,9-Epoxy, 5,6+H, 7,8+H, 9-apo, 3-OH, 5-OH, beta
( Help )
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Biological functions/Properties |
An allelochemical (Ref.469).
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Number of
conjugated double bonds |
0
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Number of
conjugated multiple bonds |
0
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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 |
1.646
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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 |
0
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| Complexity of molecule |
0.250
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| Number of heavy atoms |
16
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TPSA
(Topological Polar Surface Area) |
49.690 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)Tectona grandis (Ref.469) - Land plant: Teak (Streptophyta - Lauraceae)
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References |
Ref.469: Francisco A. Macíasa, Rodney Lacreta, Rosa M. Varelaa, Clara Nogueirasb, Jose M.G. Molinillo, Phytochemistry, Volume 69, Issue 15, November 2008, Pages 2708–2715, "Bioactive apocarotenoids from Tectona grandis".
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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