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Entry |
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Classification |
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Carotenoid Name
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IUPAC name |
(13Z)-1,1'-Dimethoxy-3,4,3',4'-tetradehydro-1,2,1',2'-tetrahydro-psi,psi-caroten-20-al
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Formula |
C42H58O3
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Molecular Weight |
610.884 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
13Z, 3,4--H, 3',4'--H, 1,2+H, 1',2'+H, 1-Methoxy, 1'-Methoxy, 20-al, psi,psi
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Biological functions/Properties |
Antioxidant activity - lipid peroxidation inhibitor nearly equal to that of Lycopene (Ref.352).
Naturally occuring purple color (Ref.352).
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Number of
conjugated double bonds |
12 including one aldehyde (12 in total)
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Number of
conjugated multiple bonds |
12 including one aldehyde (12 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 |
11.314
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Hydrogen Bond donors
(Lipinski's definition) |
0
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Hydrogen Bond Acceptors
(Lipinski's definition) |
3
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| LipinskiFailures |
2
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| Complexity of molecule |
0.000
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| Number of heavy atoms |
44
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TPSA
(Topological Polar Surface Area) |
35.530 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 |
Rhodobacter capsulatus (Ref.352) - Alphaproteobacteria: photosynthetic purple nonsulfur bacterium (Alphaproteobacteria - Rhodobacteraceae)
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References |
Ref.352: Maoka, Takashi; Mochida, Kooichi; Okuda, Yoko; Ito, Yoshihiro; Fujiwara, Yasuhiro, Chemical & Pharmaceutical Bulletin (1997), 45(7), 1225-1227., "A novel purple carotenoid, rhodobacterioxanthin, from Rhodobacter capsulatus".
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CAS |
183308-55-6
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Links to other DB |
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