Entry |
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Classification |
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Carotenoid Name
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IUPAC name |
(3R)-3-Hydroxy-5',6'-dihydro-5'-apo-18'-nor-beta,psi-caroten-6'-one
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Formula |
C33H44O2
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Molecular Weight |
472.682 g/mol
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Structure |
Search similar carotenoids
Mol file
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Carotenoid DB Fingerprints |
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Biological functions/Properties |
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Number of conjugated double bonds |
11 including one ketone (11 in total)
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Number of conjugated multiple bonds |
11 including one ketone (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 |
8.685
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Hydrogen Bond donors (Lipinski's definition) |
1
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Hydrogen Bond Acceptors (Lipinski's definition) |
2
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LipinskiFailures |
1
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Complexity of molecule |
0.076
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Number of heavy atoms |
35
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TPSA (Topological Polar Surface Area) |
37.300 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 |
Citrus unshiu (Ref.775) - Land plant: mandarin orange (Streptophyta - Rutaceae)Citrus reticulata (Ref.268) - Land plant: mandarin orange, tangerine (Streptophyta - Rutaceae)
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References |
Ref.775: Keiji Umeda et al., “柑橘のカロチノイドに関する研究 “. Ref.268: Henry Yokoyama , Michael J. White , Carl E. Vandercook, J. Org. Chem., 1965, 30 (7), pp 2482–2483, "Citrus Carotenoids. III. The Structure of Reticulataxanthin".
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CAS |
28368-09-4
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Links to other DB |
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