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Entry |
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Classification |
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Carotenoid Name
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IUPAC name |
(11',12')-Addition product of (3S,5R,6R,3'S,5'R,6'S)-5',6'-Epoxy-6,7-didehydro-5,6,5',6'-tetrahydro-beta,beta-carotene-3,5,3'-triol and alpha-tocopherol
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Formula |
C69H104O6
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Molecular Weight |
1029.522 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,5R,6R,3'S,5'R,6'S), 3-OH, 3'-OH, 6,7--H, 5,6+H, 5',6'+H, 5',6'-Epoxy, beta,beta, Complex derivative2C1
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Biological functions/Properties |
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Number of
conjugated double bonds |
6, 3, and 2 (11 in total)
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Number of
conjugated multiple bonds |
6, 3, and 2 (11 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 |
19.882
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Hydrogen Bond donors
(Lipinski's definition) |
3
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Hydrogen Bond Acceptors
(Lipinski's definition) |
6
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| LipinskiFailures |
2
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| Complexity of molecule |
0.240
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| Number of heavy atoms |
75
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TPSA
(Topological Polar Surface Area) |
91.680 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.279: T. Maoka, N. Akimoto, Y. Kuroda, K. Hashimoto, and Y.Fujiwara, J. Nat. Prod., 2008, 71 (4), pp 622–627, DOI: 10.1021/np070650h, "Pittosporumxanthins, Cycloaddition Products of Carotenoids with α-Tocopherol from Seeds of Pittosporum tobira".
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CAS |
174232-46-3
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Links to other DB |
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