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Entry |
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Classification |
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Carotenoid Name
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β-Carotene diepoxide;
beta-Carotene diepoxide
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IUPAC name |
(5R,6S,5'R,6'S)-5,6:5',6'-Diepoxy-5,6,5',6'-tetrahydro-beta,beta-carotene
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Formula |
C40H56O2
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Molecular Weight |
568.848 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
(5R,6S,5'R,6'S), 5,6+H, 5',6'+H, 5,6-Epoxy, 5',6'-Epoxy, beta,beta
( Help )
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Biological functions/Properties |
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Number of
conjugated double bonds |
9
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Number of
conjugated multiple bonds |
9
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Isomers |
Constitutional isomer: CA01213, CA00140, CA00078, CA00079, CA00164, CA00207, CA00208, CA00204, CA00218, CA00233, CA00234, CA00206, CA00205, CA00249, CA00248, CA00261, CA00373, CA00374, CA00327, CA00326, CA00375, CA00328, CA00329, CA00330, CA00331, CA00399, CA00435, CA00401, CA00400, CA00430, CA00434, CA00403, CA00480, CA00582, CA01237, CA00597, CA00598, CA00615, CA00599, CA00600, CA00616, CA00614, CA00623, CA00676, CA00692, CA00691, CA00689, CA00686, CA00687, CA00685, CA00682, CA00690, CA00683, CA00684, CA00688, CA01228, CA00737
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InChI |
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InChIKey |
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Canonical SMILES |
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XLogP |
11.024
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Hydrogen Bond donors
(Lipinski's definition) |
0
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Hydrogen Bond Acceptors
(Lipinski's definition) |
2
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| LipinskiFailures |
1
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| Complexity of molecule |
0.327
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| Number of heavy atoms |
42
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TPSA
(Topological Polar Surface Area) |
25.060 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.280: B. Czeczuga, Transactions of the Illinois State Academy of Science. {1992), "Carotenoids in Certain Lichens - in Illinois".
Ref.291: Ligia Bicudo de Almeida1, Marilene De Vuono Camargo Penteado1, Kenneth L. Simpson2, George Britton, Murat Acemoglu, and Conrad Hans Eugster, Helvetica Chimica Acta Volume 69, Issue 7, pages 1554–1558, 29 October 1986, "Isolation and Characterisation of (5R, 6S,5'R,8'R)- and (5R,6S,5'R,8'S)-Luteochrome from Brazilian Sweet Potatoes (Ipomoea batatas LAM.)".
Ref.295: Ligia B. Almeida, Marilene V.C. Penteado, Journal of Food Composition and Analysis, Volume 1, Issue 4, November 1988, Pages 341–352, "Carotenoids and pro-vitamin A value of white fleshed Brazilian sweet potatoes (Ipomoea batatas Lam.)".
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CAS |
34222-90-7
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Links to other DB |
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