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Entry |
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Classification |
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Carotenoid Name
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IUPAC name |
(3S,4S,3'S,5'R)-3,4,3',8'-Tetrahydroxy-7,8,didehydro-beta,kappa-caroten-6'-one
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Formula |
C40H54O5
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Molecular Weight |
614.832 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,4S,3'S,5'R), 3-OH, 4-OH, 3'-OH, 8'-OH, 6'=O, beta,kappa
( Help )
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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 |
11 including one ketone (11 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 |
8.387
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Hydrogen Bond donors
(Lipinski's definition) |
4
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Hydrogen Bond Acceptors
(Lipinski's definition) |
5
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| LipinskiFailures |
1
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| Complexity of molecule |
0.303
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| Number of heavy atoms |
45
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TPSA
(Topological Polar Surface Area) |
97.990 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.448: Maoka, Takashi; Tsushima, Miyuki; Matsuno, Takao, Comparative Biochemistry and Physiology, Part B: Biochemistry & Molecular Biology (1989), 93B(4), 829-34., "New acetylenic carotenoids from the starfishes Asterina pectinifera and Asterias amurensis".
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CAS |
124392-06-9
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Links to other DB |
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