Entry |
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Classification |
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Carotenoid Name
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Pyrrhoxanthin 5,8-furanoxide
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IUPAC name |
(3S,5R,6S,3'R)-5,8-Epoxy-3'-ethanoyloxy-3-hydroxy-6,7,7',8'-tetradehydro-5,6,7,8-tetrahydro-12',13',20'-trinor-beta,beta-caroten-19,11-olide
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Formula |
C39H48O6
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Molecular Weight |
612.774 g/mol
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Structure |
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Mol file
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Carotenoid DB Fingerprints |
Predict biological activities of this carotenoid
(3S,5R,6S,3'R), 6,7--H, 7',8'--H, 5,6+H, 7,8+H, 3-OH, 3'-Ethanoyloxy, 5,8-Epoxy, 19,11-olide, 12'-nor, 13'-nor, 20'-nor, beta,beta
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Biological functions/Properties |
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Number of conjugated double bonds |
7 including one lactone (7 in total)
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Number of conjugated multiple bonds |
9 including one lactone (9 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 |
7.076
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Hydrogen Bond donors (Lipinski's definition) |
1
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Hydrogen Bond Acceptors (Lipinski's definition) |
6
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LipinskiFailures |
1
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Complexity of molecule |
0.333
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Number of heavy atoms |
45
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TPSA (Topological Polar Surface Area) |
82.060 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.221: Maoka, Takashi; Fujiwara, Yasuhiro; Hashimoto, Keiji; Akimoto, Naoshige, Journal of Agricultural and Food Chemistry (2005), 53(21), 8357-8364. "Carotenoids in Three Species of Corbicula Clams, Corbicula japonica, Corbicula sandai, and Corbicula sp. (Chinese Freshwater Corbicula Clam)".
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CAS |
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Links to other DB |
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