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Entry |
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Classification |
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Carotenoid Name
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IUPAC name |
(2R,2'S)-2-(4-Hydroxy-3-methylbut-2-enyl)-2'-(3-methylbut-2-enyl)-3',4'-didehydro-1',2'-dihydro-beta,psi-caroten-1'-ol
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Formula |
C50H72O2
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Molecular Weight |
705.076 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
(2R,2'S), 3',4'--H, 1',2'+H, 1'-OH, beta,psi, 2'-isoprene, 2-isoprene-4-OH
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Biological functions/Properties |
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Number of
conjugated double bonds |
12
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Number of
conjugated multiple bonds |
12
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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 |
15.074
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Hydrogen Bond donors
(Lipinski's definition) |
2
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Hydrogen Bond Acceptors
(Lipinski's definition) |
2
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| LipinskiFailures |
2
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| Complexity of molecule |
0.048
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| Number of heavy atoms |
52
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TPSA
(Topological Polar Surface Area) |
40.460 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.386: Andrewes, Arthur G.; Liaaen-Jensen, Synnoeve, Tetrahedron Letters (1984), 25(11), 1191-4., "C50 carotenoids. Part 21. Revision of the structures of the bacterial C50-carotenoids C.p. 450 and C.p. 473".
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CAS |
90139-11-0
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Links to other DB |
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