Entry |
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Classification |
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Carotenoid Name
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IUPAC name |
1,1'-Dimethoxy-3,4-didehydro-1,2,1',2',7',8'-hexahydro-psi,psi-caroten-2-one
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Formula |
C42H62O3
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Molecular Weight |
614.916 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
3,4--H, 1,2+H, 1',2'+H, 7',8'+H, 1-Methoxy, 1'-Methoxy, 2=O, psi,psi
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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 |
12.047
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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 |
45
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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 sphaeroides (Ref.507) - Alphaproteobacteria: phototrophic purple non-sulfur bacteria (Alphaproteobacteria - Rhodobacteraceae)
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References |
Ref.507: George Britton, Harish C. Malhotra, Raj Kumari Singh 1, Sandra Taylor, Trevor W. Goodwin, Avraham Ben-Aziz, Phytochemistry, Volume 15, Issue 12, 1976, Pages 1971-1972, "Methoxyspheroidene and methoxyspheroidenone, two carotenoids from Rhodopseudomonas spheroides".
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CAS |
62691-07-0
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Links to other DB |
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