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Entry |
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Classification |
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Carotenoid Name
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Flavoxanthin;
Chrysanthemaxanthin
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IUPAC name |
(3S,5R,8RS,3'R,6'R)-5,8-Epoxy-5,8-dihydro-beta,epsilon-carotene-3,3'-diol
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Formula |
C40H56O3
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Molecular Weight |
584.848 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
(3S,5R,8RS,3'R,6'R), 5,8+H, 3-OH, 3'-OH, 5,8-Epoxy, beta,epsilon
( Help )
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Biological functions/Properties |
Orange color of calendula petals (Ref.493).
Reverses multidrug resistance by a co-treatment with chrysanthemaxanthin (Ref.493).
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Number of
conjugated double bonds |
8
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Number of
conjugated multiple bonds |
8
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Isomers |
Constitutional isomer: CA00227, CA00228, CA00394, CA00340, CA00377, CA00378, CA00339, CA00342, CA00338, CA00341, CA00410, CA00436, CA00437, CA00407, CA00408, CA00412, CA00438, CA00411, CA00409, CA00583, CA00607, CA00606, CA00609, CA00608, CA00618, CA00627, CA00625, CA01047, CA00761, CA00762, CA00739
Conformer: CA00630
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InChI |
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InChIKey |
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Canonical SMILES |
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XLogP |
9.229
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Hydrogen Bond donors
(Lipinski's definition) |
2
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Hydrogen Bond Acceptors
(Lipinski's definition) |
3
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| LipinskiFailures |
1
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| Complexity of molecule |
0.313
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| Number of heavy atoms |
43
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TPSA
(Topological Polar Surface Area) |
49.690 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.115: Czeczuga, B., Phyton (Horn, Austria) (1979), 19(3-4), 225-32., "Investigations on carotenoids in fungi. VI. Representatives of the Helvellaceae and Morchellaceae".
Ref.493: Anne-Laure Gagez, Valérie Thiery, Virginie Pasquet, Jean-Paul Cadoret, and Laurent Picot, Current Bioactive Compounds 2012, 8, 000-000, "Epoxycarotenoids and Cancer. Review".
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CAS |
512-29-8
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Links to other DB |
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