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Entry |
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Classification |
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Carotenoid Name
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5,6-Diepicapsokarpoxanthin;
5,6-Diacapsokarpoxanthin
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IUPAC name |
(3S,5S,6S,3'S,5'R)-3,5,6,3'-Tetrahydroxy-5,6-dihydro-beta,kappa-caroten-6'-one
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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,5S,6S,3'S,5'R), 5,6+H, 3-OH, 5-OH, 6-OH, 3'-OH, 6'=O, beta,kappa
( Help )
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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 |
8.503
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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 |
2
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| Complexity of molecule |
0.291
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| Number of heavy atoms |
45
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TPSA
(Topological Polar Surface Area) |
97.990 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.286: Deli, Jozsef; Molnar, Peter; Matus, Zoltan; Toth, Gyula; Steck, Andrea; Pfander, Hanspeter, Helvetica Chimica Acta (1998), 81(7), 1233-1241., "Isolation of carotenoids with 3,5,6-trihydroxy-5,6-dihydro-β-end groups from red paprika (Capsicum annuum)".
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CAS |
211804-92-1
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Links to other DB |
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