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Entry |
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Classification |
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Carotenoid Name
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1-Hydroxy-3,4,7,8,1',2',11',12'-octahydrospherioidene;
1-Methoxy-1'hydroxy-1,2,1',2'-tetrahydrophytofluene
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IUPAC name |
1'-Methoxy-1,2,7,8,11,12,1',2',7',8'-decahydro-psi,psi-caroten-1-ol
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Formula |
C41H68O2
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Molecular Weight |
592.954 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
1,2+H, 7,8+H, 11,12+H, 1',2'+H, 7',8'+H, 1-OH, 1'-Methoxy, psi,psi
( Help )
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Biological functions/Properties |
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Number of
conjugated double bonds |
5
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Number of
conjugated multiple bonds |
5
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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 |
13.015
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Hydrogen Bond donors
(Lipinski's definition) |
1
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Hydrogen Bond Acceptors
(Lipinski's definition) |
2
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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) |
29.460 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 |
Rhodospirillum rubrum - Alphaproteobacteria: phototrophic purple non-sulfur bacteria (Alphaproteobacteria - Rhodospirillaceae)
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References |
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CAS |
51601-77-5
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Links to other DB |
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