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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,8'RS)-5',8'-Epoxy-5,6,5',8'-tetrahydro-beta,beta-carotene-3,5,6,3'-tetrol
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Formula |
C40H58O5
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Molecular Weight |
618.864 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,8'RS), 5,6+H, 5',8'+H, 3-OH, 5-OH, 6-OH, 3'-OH, 5',8'-Epoxy, beta,beta
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Biological functions/Properties |
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Number of
conjugated double bonds |
8
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Number of
conjugated multiple bonds |
8
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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 |
7.121
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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 |
0.301
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| Number of heavy atoms |
45
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TPSA
(Topological Polar Surface Area) |
90.150 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 |
Rosa foetida (Ref.285) - Land plant: Rosaceae: rose petal (Streptophyta - Rosaceae)
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References |
Ref.285: Edith Märki-Fischer, Richard Buchecker, and Conrad Hans Eugster, Helvetica Chimica Acta Volume 67, Issue 8, pages 2143–2154, 19 Dezember 1984, "Eine Neuuntersuchung der Carotinoide aus Rosa foetida: Struktur von 12 neuen Carotinoiden; stereoisomere Luteoxanthine, Auroxanthine, Latoxanthine und Latochrome".
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CAS |
95119-71-4
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Links to other DB |
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