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Entry |
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Classification |
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Carotenoid Name
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IUPAC name |
(5R,6S,5'R,8'RS)-5,6:5',8'-Diepoxy-5,6,5',8'-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,8'RS), 5,6+H, 5',8'+H, 5,6-Epoxy, 5',8'-Epoxy, beta,beta
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Biological functions/Properties |
Weak MDR reversal activity in mdr1-L1210 and doxorubicin-resistant MCF-7 (Ref.493).
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Number of
conjugated double bonds |
8
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Number of
conjugated multiple bonds |
8
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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, CA00402, CA00401, CA00400, CA00430, CA00434, 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 |
9.981
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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) |
21.760 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.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.)".
Ref.493: Anne-Laure Gagez, Valérie Thiery, Virginie Pasquet, Jean-Paul Cadoret, and Laurent Picot, Current Bioactive Compounds 2012, 8, 000-000, "Epoxycarotenoids and Cancer. Review".
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CAS |
6821-08-5
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Links to other DB |
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