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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'-tetrahydro-psi,psi-caroten-4-one
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Formula |
C42H60O3
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Molecular Weight |
612.9 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, 1-Methoxy, 1'-Methoxy, 4=O, psi,psi
( Help )
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Biological functions/Properties |
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Number of
conjugated double bonds |
13 including one ketone (13 in total)
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Number of
conjugated multiple bonds |
13 including one ketone (13 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 |
11.743
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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 |
Major carotenoid in purple nonsulfur bacteria Rhodopseudomonas globiformis (Ref.341).
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Minor carotenoid information |
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Source organisms |
Rhodopseudomonas globiformis (Ref.341) - Alphaproteobacteria: phototrophic purple non-sulfur bacteria (Alphaproteobacteria - Acetobacteraceae)
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References |
Ref.341: Schmidt, Karin; Liaaen-Jensen, Synnove, Acta Chemica Scandinavica (1947-1973) (1973), 27(8), 3040-52., "Bacterial carotenoids. XLII. New keto carotenoids from Rhodopseudomonas globiformis (Rhodospirillaceae)".
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CAS |
52062-27-8
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Links to other DB |
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