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Entry |
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Classification |
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Carotenoid Name
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Hydroxydemethylspheroidenone;
OH-Demethylspheroidenone
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IUPAC name |
1,1'-Dihydroxy-3,4-didehydro-1,2,1',2',7',8'-hexahydro-psi,psi-caroten-2-one
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Formula |
C40H58O3
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Molecular Weight |
586.864 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-OH, 1'-OH, 2=O, psi,psi
( Help )
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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 |
11.009
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Hydrogen Bond donors
(Lipinski's definition) |
2
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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 |
43
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TPSA
(Topological Polar Surface Area) |
57.530 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 |
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References |
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CAS |
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Links to other DB |
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