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Entry |
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Classification |
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Carotenoid Name
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IUPAC name |
(5-,6R)-19'-Ethanoyloxy-6-hydroxy-3-oxo-8',9'-didehydro-5,6,7',8',9',10'-hexahydro-7'-apo-beta-caroten-7'-oic acid
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Formula |
C33H44O6
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Molecular Weight |
536.682 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
(5-,6R), 8',9'--H, 5,6+H, 7',8'+H, 9',10'+H, 6-OH, 19'-Ethanoyloxy, 3=O, 7'-COOH, 7'-apo, beta
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Biological functions/Properties |
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Number of
conjugated double bonds |
7 and 2 including one carboxylic acid (9 in total)
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Number of
conjugated multiple bonds |
7 and 2 including one carboxylic acid (9 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 |
6.049
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Hydrogen Bond donors
(Lipinski's definition) |
2
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Hydrogen Bond Acceptors
(Lipinski's definition) |
6
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| LipinskiFailures |
2
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| Complexity of molecule |
0.072
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| Number of heavy atoms |
39
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TPSA
(Topological Polar Surface Area) |
100.900 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 |
Cochlospermum vitifolium (Ref.377) - Land plant: Bixaceae: buttercup tree; wild cotton; forest peach; rose imperial (Streptophyta - Bixaceae)
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References |
Ref.377: Achenbach, Hans; Bluemm, Elmar; Waibel, Reiner, Tetrahedron Letters (1989), 30(23), 3059-60., "Vitixanthin and dihydrovitixanthin. New unusual 7'-apocarotenoic acids from Cochlospermum vitifolium".
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CAS |
125287-07-2
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Links to other DB |
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