Entry |
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Classification |
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Carotenoid Name
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IUPAC name |
Methyl 1'-methoxy-4'-oxo-1',2'-dihydro-chi,psi-caroten-16 (or 17 or 18)-oate
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Formula |
C42H54O4
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Molecular Weight |
622.852 g/mol
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Structure |
Search similar carotenoids
![](../Carotenoid_structures/bitmaps/CA00718.png)
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 |
15 including one ketone and one carboxylic acid methyl ester (15 intotal)
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Number of conjugated multiple bonds |
15 including one ketone and one carboxylic acid methyl ester (15 intotal)
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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 |
12.607
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Hydrogen Bond donors (Lipinski's definition) |
0
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Hydrogen Bond Acceptors (Lipinski's definition) |
4
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LipinskiFailures |
2
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Complexity of molecule |
0.060
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Number of heavy atoms |
46
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TPSA (Topological Polar Surface Area) |
52.600 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 |
Thiocystis gelatinosa (Ref.351) - purple sulfur bacteria, same as Thiothece gelatinosa (Gammaproteobacteria - Chromatiaceae)
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References |
Ref.351: Francis, G. W.; Liaaen Jensen, Synnoeve, Acta Chemica Scandinavica (1947-1973) (1970), 24(8), 2705-12., "Bacterial carotenoids. XXXIII. Carotenoids of thiorhodaceae. 9. Structures of the carotenoids of the rhodopinal series".
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CAS |
38647-08-4
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Links to other DB |
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