Entry |
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Classification |
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Carotenoid Name
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3,4,4'-Trihydroxypirardixanthin
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IUPAC name |
(3S,4R,5S,6S,4'S,5S',6'S)-5,6,5',6'-Tetrahydro-beta,beta-carotene-3,4,4'-triol
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Formula |
C40H60O3
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Molecular Weight |
588.88 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,4R,5S,6S,4'S,5S',6'S), 5,6+H, 5',6'+H, 3-OH, 4-OH, 4'-OH, beta,beta
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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 |
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InChI |
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InChIKey |
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Canonical SMILES |
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XLogP |
11.940
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Hydrogen Bond donors (Lipinski's definition) |
3
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Hydrogen Bond Acceptors (Lipinski's definition) |
3
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LipinskiFailures |
1
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Complexity of molecule |
0.291
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Number of heavy atoms |
43
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TPSA (Topological Polar Surface Area) |
60.690 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 |
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CAS |
98502-73-9
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Links to other DB |
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