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Entry |
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Classification |
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Carotenoid Name
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Xanthoxin;
Xanthoxal;
(2Z,4E)-Xanthoxin
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IUPAC name |
(3S,5R,6S,9Z)-3-Hydroxy-5,6-hydro-5,6-epoxy-11-apo-beta-caroten-11-al
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Formula |
C15H22O3
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Molecular Weight |
250.326 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), 9Z, 3-OH, 11-al, 5,6-Epoxy, 5,6+H, 11-apo, beta
( Help )
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Biological functions/Properties |
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Number of
conjugated double bonds |
3 including one aldehyde (3 in total)
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Number of
conjugated multiple bonds |
3 including one aldehyde (3 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 |
1.670
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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 |
0
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| Complexity of molecule |
0.175
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| Number of heavy atoms |
18
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TPSA
(Topological Polar Surface Area) |
49.830 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 |
8066-07-7
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Links to other DB |
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