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Entry |
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Classification |
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Carotenoid Name
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IUPAC name |
(3S,5S,6R,3'R)-5,6-Epoxy-7',8'-didehydro-5,6-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
(3S,5S,6R,3'R), 7',8'--H, 5,6+H, 3-OH, 3'-OH, 5,6-Epoxy, beta,beta
( Help )
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Biological functions/Properties |
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Number of
conjugated double bonds |
8
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Number of
conjugated multiple bonds |
10
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Isomers |
Constitutional isomer: CA00226, CA00271, CA00262, CA00263, CA00264, CA00337, CA00978, CA00406, CA01085, CA01086, CA00980, CA00533, CA01052, CA00489, CA00490, CA00605, CA00643, CA00641, CA00639, CA00660, CA00640, CA00642, CA00638, CA00659, CA01051, CA00703, CA00738
Conformer: CA00404
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InChI |
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InChIKey |
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Canonical SMILES |
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XLogP |
9.730
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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) |
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 |
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References |
Ref.290: Miyuki Tsushima ,Eisaku Mune , Takashi Maoka , and Takao Matsuno, J. Nat. Prod., 2000, 63 (7), pp 960–964, "Prev. Article Next Article Table of Contents Isolation of Stereoisomeric Epoxy Carotenoids and New Acetylenic Carotenoid from the Common Freshwater Goby Rhinogobius brunneus".
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CAS |
280774-91-6
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Links to other DB |
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