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,6S,3'R)-5,6-epoxy-5,6-dihydro-beta,beta-carotene-3,3'-diol and alpha-tocopherol
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Formula |
C69H104O5
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Molecular Weight |
1013.522 g/mol
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Structure |
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Mol file
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Carotenoid DB Fingerprints |
Predict biological activities of this carotenoid
(3S,5R,6S,3'R), 3-OH, 3'-OH, 5',6'+H, 5',6'-Epoxy, beta,beta, Complex derivative2B2
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Biological functions/Properties |
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Number of conjugated double bonds |
7, 3, and 2 (12 in total)
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Number of conjugated multiple bonds |
7, 3, and 2 (12 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 |
19.327
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Hydrogen Bond donors (Lipinski's definition) |
2
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Hydrogen Bond Acceptors (Lipinski's definition) |
5
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LipinskiFailures |
2
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Complexity of molecule |
0.242
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Number of heavy atoms |
74
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TPSA (Topological Polar Surface Area) |
71.450 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 |
174390-03-5
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Links to other DB |
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