Entry |
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Classification |
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Carotenoid Name
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2,2'-Diketospirilloxanthin; 2,2'-dioxospirilloxanthin; Rhodoviolascin-2,2'-dione; P 518
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IUPAC name |
1,1'-Dimethoxy-3,4,3',4'-tetradehydro-1,2,1',2'-tetrahydro-psi,psi-carotene-2,2'-dione
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Formula |
C42H56O4
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Molecular Weight |
624.868 g/mol
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Structure |
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Mol file
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Carotenoid DB Fingerprints |
Predict biological activities of this carotenoid
3,4--H, 3',4'--H, 1,2+H, 1',2'+H, 1-Methoxy, 1'-Methoxy, 2=O, 2'=O, psi,psi
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Biological functions/Properties |
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Number of conjugated double bonds |
15 including two ketones (15 in total)
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Number of conjugated multiple bonds |
15 including two ketones (15 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 |
10.602
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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 |
0.000
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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 |
Rhodobacter sphaeroides (Ref.343) - Alphaproteobacteria: phototrophic purple non-sulfur bacteria (Alphaproteobacteria - Rhodobacteraceae)
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References |
Ref.343: Niedzwiedzki, Dariusz M.; Dilbeck, Preston L.; Tang, Qun; Mothersole, David J.; Martin, Elizabeth C.; Bocian, David F.; Holten, Dewey; Hunter, C. Neil, Niedzwiedzki, Dariusz M.; Dilbeck, Preston L.; Tang, Qun; Mothersole, David J.; Martin, Elizabeth C.; Bocian, David F.; Holten, Dewey; Hunter, C. Neil, "Functional characteristics of spirilloxanthin and keto-bearing Analogues in light-harvesting LH2 complexes from Rhodobacter sphaeroides with a genetically modified carotenoid synthesis pathway".
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CAS |
1185-31-5, 24009-17-4
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Links to other DB |
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