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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)-5,6-Epoxy-5,6-dihydro-12'-apo-beta-carotene-3,12'-diol
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Formula |
C25H36O3
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Molecular Weight |
384.538 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), 5,6+H, 3-OH, 12'-OH, 5,6-Epoxy, 12'-apo, beta
( Help )
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Biological functions/Properties |
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Number of
conjugated double bonds |
6
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Number of
conjugated multiple bonds |
6
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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 |
4.512
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Hydrogen Bond donors
(Lipinski's definition) |
2
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Hydrogen Bond Acceptors
(Lipinski's definition) |
3
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| LipinskiFailures |
0
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| Complexity of molecule |
0.109
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| Number of heavy atoms |
28
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TPSA
(Topological Polar Surface Area) |
52.990 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 |
Prunus salina (Ref.238) - Land plant: Rosaceae: prune (Streptophyta - Rosaceae)
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References |
Ref.238: Gross, Jeana, Gartenbauwissenschaft (1984), 49(1), 18-21., "Carotenoid pigments in three plum cultivars".
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CAS |
80952-82-5
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Links to other DB |
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