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Entry |
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Classification |
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Carotenoid Name
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IUPAC name |
1'-Hydroxy-1-methoxy-3,4-didehydro-1,2,1',2'-tetrahydro-psi,psi-caroten-2-one
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Formula |
C41H58O3
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Molecular Weight |
598.874 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'-OH, 1-Methoxy, 2=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 |
11.486
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Hydrogen Bond donors
(Lipinski's definition) |
1
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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) |
46.530 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 |
23984-47-6
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Links to other DB |
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