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Entry |
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Classification |
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Carotenoid Name
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IUPAC name |
(3S,5R,6S,3'R,6'R)-5,6-epoxy-19-(2-decenoyloxy)-19'-acetoxy-4',5'-didehydro-5,6,5',6'-tetrahydro-beta,epsilon-carotene-3,3'-diol
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Formula |
C52H74O7
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Molecular Weight |
811.112 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,6S,3'R,6'R), 5,6+H, 5,6-Epoxy, 19-(2-decenoyloxy), 19'-acetoxy, 4',5'--H, 5,6+H, 5',6'+H, beta,epsilon, 3-OH, 3'-OH
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Biological functions/Properties |
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Number of
conjugated double bonds |
9 and 2 including one ketone (11 in total)
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Number of
conjugated multiple bonds |
9 and 2 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 |
12.537
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Hydrogen Bond donors
(Lipinski's definition) |
2
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Hydrogen Bond Acceptors
(Lipinski's definition) |
7
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| LipinskiFailures |
2
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| Complexity of molecule |
0.233
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| Number of heavy atoms |
59
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TPSA
(Topological Polar Surface Area) |
105.590 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 |
Lepidodinium chlorophorum (Ref.673) - Alga: Green dinoflagellate, same as Gymnodinium chlorophorum ((Alveolata) - Gymnodiniaceae)
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References |
Ref.673: Antonio Gavalas-Olea, Susana Alvarez, Pilar Riobo, Francisco Rodriguez, Jose L. Garrido, and Belen Vaz, Org Lett. 2016 Sep 16;18(18):4642-5. Epub 2016 Sep 1., "19,19’-diacyloxy signature: an atypical level of structural evolution in carotenoid pigments", doi: 10.1021/acs.orglett.6b02272.
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CAS |
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Links to other DB |
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