Entry |
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Classification |
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Carotenoid Name
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IUPAC name |
(3S,5R,6R,3'R)-3,5,6,3'-Tetrahydroxy-7',8'-didehydro-5,6-dihydro-12',13',20'-trinor-beta,beta-caroten-19,11-olide
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Formula |
C37H48O6
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Molecular Weight |
588.754 g/mol
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Structure |
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Mol file
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Carotenoid DB Fingerprints |
Predict biological activities of this carotenoid
(3S,5R,6R,3'R), 7',8'--H, 5,6+H, 3-OH, 5-OH, 6-OH, 3'-OH, 19,11-olide, 12'-nor, 13'-nor, 20'-nor, beta,beta
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Biological functions/Properties |
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Number of conjugated double bonds |
8 including one lactone (8 in total)
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Number of conjugated multiple bonds |
10 including one lactone (10 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 |
6.331
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Hydrogen Bond donors (Lipinski's definition) |
4
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Hydrogen Bond Acceptors (Lipinski's definition) |
6
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LipinskiFailures |
1
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Complexity of molecule |
0.330
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Number of heavy atoms |
43
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TPSA (Topological Polar Surface Area) |
107.220 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.33: J. E. Joansen, W. A. Svec, and S. Liaaen-Jensen, Phytochemistry, 1974, Vol.13 pp.2261-2271, "Carotenoids of the Dinophyceae".
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CAS |
120416-68-4
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Links to other DB |
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