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Entry |
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Classification |
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Carotenoid Name
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IUPAC name |
(2R,2'S)-2-[(4-beta-D-Glucopyranosyloxy)-3-methylbut-2-enyl]-2'-(3-methylbut-2-enyl)-3',4'-didehydro-1',2'-dihydro-beta,psi-caroten-1'-ol
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Formula |
C56H82O7
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Molecular Weight |
867.216 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
(2R,2'S), 3',4'--H, 1',2'+H, 1'-OH, beta,psi, 2'-isoprene, 2-isoprene-4-Glc
( Help )
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Biological functions/Properties |
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Number of
conjugated double bonds |
12
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Number of
conjugated multiple bonds |
12
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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 |
13.966
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Hydrogen Bond donors
(Lipinski's definition) |
5
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Hydrogen Bond Acceptors
(Lipinski's definition) |
7
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| LipinskiFailures |
2
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| Complexity of molecule |
0.117
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| Number of heavy atoms |
63
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TPSA
(Topological Polar Surface Area) |
119.610 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 |
Ref.224: Haberli, Adrian; Bircher, Christof; Pfander, Hanspeter, Helvetica Chimica Acta (2000), 83(2), 328-335., "Isolation of a new carotenoid and two new carotenoid glycosides from Curtobacterium flaccumfaciens pvar poinsettiae".
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CAS |
267008-22-0
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Links to other DB |
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