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Entry |
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Classification |
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Carotenoid Name
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IUPAC name |
(3R)-3-Hydroxy-1'-methoxy-3',4'-didehydro-1',2'-dihydro-beta,psi-caroten-19'-al
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Formula |
C41H56O3
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Molecular Weight |
596.858 g/mol
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Structure |
Search similar carotenoids
Mol file
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Carotenoid DB Fingerprints |
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Biological functions/Properties |
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Number of
conjugated double bonds |
13
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Number of
conjugated multiple bonds |
13
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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 |
10.461
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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 |
0.060
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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 |
Erythrobacter longus (Ref.364) - Alphaproteobacteria: marine anoxygenic phototroph with BChl a (Alphaproteobacteria - Erythrobacteraceae)
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References |
Ref.364: S. Takaichi, K. Shimada, and J. Ishidsu, Arch Microbiol.(1990) 153:118-122, "Carotenoids from the aerobic photosynthetic bacterium, Erythrobacter longus: β-Carotene and its hydroxyl derivatives".
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CAS |
119188-87-3
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Links to other DB |
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