Entry |
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Classification |
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Carotenoid Name
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IUPAC name |
(3S,5R,3'S,5'R,6'R)-3'-Ethanoyloxy-3,5,5'-trihydroxy-6',7'-didehydro-5,8,5',6'-tetrahydro-beta,beta-caroten-8-one
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Formula |
C42H58O6
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Molecular Weight |
658.884 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,3'S,5'R,6'R), 6',7'--H, 5,8+H, 5',6'+H, 3-OH, 5-OH, 5'-OH, 3'-Ethanoyloxy, 8=O, beta,beta
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Biological functions/Properties |
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Number of conjugated double bonds |
10 including one ketone (10 in total)
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Number of conjugated multiple bonds |
10 including one ketone (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 |
9.247
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Hydrogen Bond donors (Lipinski's definition) |
3
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Hydrogen Bond Acceptors (Lipinski's definition) |
6
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LipinskiFailures |
2
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Complexity of molecule |
0.283
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Number of heavy atoms |
48
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TPSA (Topological Polar Surface Area) |
104.060 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 |
7218-76-0
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Links to other DB |
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