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Entry |
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Classification |
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Carotenoid Name
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IUPAC name |
(8'R)-5,8-Epoxy-7',8'-didehydro-5,8-dihydro-beta,beta-carotene-3,3'-diol
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Formula |
C40H54O3
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Molecular Weight |
582.832 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
(8'R), 7',8'--H, 5,8+H, 3-OH, 3'-OH, 5,8-Epoxy, beta,beta
( Help )
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Biological functions/Properties |
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Number of
conjugated double bonds |
7
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Number of
conjugated multiple bonds |
9
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Isomers |
Constitutional isomer: CA00226, CA00271, CA00262, CA00263, CA00264, CA00337, CA00978, CA00980, CA00404, CA00405, CA00533, CA01052, CA00489, CA00490, CA00605, CA00643, CA00641, CA00639, CA00660, CA00640, CA00642, CA00638, CA00659, CA01051, CA00703, CA00738
Conformer: CA00406
Enantiomer: CA01085
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InChI |
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InChIKey |
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Canonical SMILES |
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XLogP |
8.476
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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 |
1
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| Complexity of molecule |
0.320
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| Number of heavy atoms |
43
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TPSA
(Topological Polar Surface Area) |
49.690 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.494: Takashi MAOKA, Miyuki TSUSHIMA, and Hoyoku NISHINO, Chem. Pharm. Bull. 50(12) 1630—1633 (2002), "Isolation and Characterization of Dinochrome A and B, Anti-carcinogenic Active Carotenoids from the Fresh Water Red Tide Peridinium bipes".
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CAS |
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Links to other DB |
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