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Entry |
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Classification |
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Carotenoid Name
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19-Hexanoyloxyparacentrone 3-acetate
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IUPAC name |
3-Ethanoyloxy-19-hexanoyloxy-5-hydroxy-6,7-didehydro-5,6,7',8'-tetrahydro-7'-apo-beta-caroten-8'-one
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Formula |
C39H54O6
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Molecular Weight |
618.822 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
6,7--H, 5,6+H, 7',8'+H, 5-OH, 3-Ethanoyloxy, 8'=O, 7'-apo, beta, 19-Hexanoyloxy
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Biological functions/Properties |
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Number of
conjugated double bonds |
9 including one ketone (9 in total)
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Number of
conjugated multiple bonds |
9 including one ketone (9 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 |
9.557
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Hydrogen Bond donors
(Lipinski's definition) |
1
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Hydrogen Bond Acceptors
(Lipinski's definition) |
6
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| LipinskiFailures |
2
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| Complexity of molecule |
0.061
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| Number of heavy atoms |
45
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TPSA
(Topological Polar Surface Area) |
89.900 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 |
Phaeocystis sp. (Ref.31) - Alga: Haptophyte ((Haptophyceae) - Phaeocystaceae)
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References |
Ref.31: R. Berger, and S. Liaaen-Jensen, Biochemical Systematics and Ecology, 1977, Vol. 5, pp.71-75 "Carotenoids of Prymnesiophyceae (Haptophyceae)* ".
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CAS |
60147-89-9
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Links to other DB |
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