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Entry |
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Classification |
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Carotenoid Name
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IUPAC name |
(3S,5R,6R,3'S,5'R,6'R)-5,6,5',6'-Tetrahydro-beta,beta-carotene-3,5,6,3',5',6'-hexol
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Formula |
C40H60O6
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Molecular Weight |
636.88 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,6R,3'S,5'R,6'R), 5,6+H, 5',6'+H, 3-OH, 5-OH, 6-OH, 3'-OH, 5'-OH, 6'-OH, beta,beta
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Biological functions/Properties |
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Number of
conjugated double bonds |
9
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Number of
conjugated multiple bonds |
9
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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 |
7.786
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Hydrogen Bond donors
(Lipinski's definition) |
6
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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 |
46
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TPSA
(Topological Polar Surface Area) |
121.380 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 |
86105-69-3
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Links to other DB |
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