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Entry |
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Classification |
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Carotenoid Name
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IUPAC name |
(3S,5R,6S)-5,6-Epoxy-3-hydroxy-8-oxo-5,6,7,8-tetrahydro-10'-apo-beta-caroten-10'-al
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Formula |
C27H36O4
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Molecular Weight |
424.558 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), 5,6+H, 7,8+H, 3-OH, 10'-al, 8=O, 5,6-Epoxy, 10'-apo, beta
( Help )
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Biological functions/Properties |
Feeding deterrent activity against a copepod (Ref.56, Ref.232).
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Number of
conjugated double bonds |
8 including one ketone and one aldehyde (8 in total)
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Number of
conjugated multiple bonds |
8 including one ketone and one aldehyde (8 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 |
4.739
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Hydrogen Bond donors
(Lipinski's definition) |
1
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Hydrogen Bond Acceptors
(Lipinski's definition) |
4
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| LipinskiFailures |
0
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| Complexity of molecule |
0.104
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| Number of heavy atoms |
31
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TPSA
(Topological Polar Surface Area) |
66.900 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.56: B. A. Shaw, R. J. Anderson, P. J. Harrison, Marine Biology (1995) 124:467-472, "Feeding deterrence properties of apo-fucoxanthinoids from marine diatoms. I. Chemical structures of apo-fucoxanthinoids produced by Phaeodactylum tricornutum".
Ref.232: Shaw, B. A.; Andersen, R. J.; Harrison, P. J., Marine Biology (Berlin) (1997), 128(2), 273-280., "Feeding deterrent and toxicity effects of apo-fucoxanthinoids and phycotoxins on a marine copepod (Tigriopus californicus)".
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CAS |
22488-62-6
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Links to other DB |
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