Entry |
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Classification |
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Carotenoid Name
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IUPAC name |
(3S,5S,6S,3'R)-5,6-Dihydro-beta,beta-carotene-3,5,6,3'-tetrol
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Formula |
C40H58O4
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Molecular Weight |
602.864 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,5S,6S,3'R), 5,6+H, 3-OH, 5-OH, 6-OH, 3'-OH, beta,beta
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Biological functions/Properties |
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Number of conjugated double bonds |
10
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Number of conjugated multiple bonds |
10
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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 |
9.175
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Hydrogen Bond donors (Lipinski's definition) |
4
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Hydrogen Bond Acceptors (Lipinski's definition) |
4
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LipinskiFailures |
1
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Complexity of molecule |
0.294
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Number of heavy atoms |
44
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TPSA (Topological Polar Surface Area) |
80.920 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.286: Deli, Jozsef; Molnar, Peter; Matus, Zoltan; Toth, Gyula; Steck, Andrea; Pfander, Hanspeter, Helvetica Chimica Acta (1998), 81(7), 1233-1241., "Isolation of carotenoids with 3,5,6-trihydroxy-5,6-dihydro-β-end groups from red paprika (Capsicum annuum)".
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CAS |
104012-90-0
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Links to other DB |
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