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Entry |
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Classification |
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Carotenoid Name
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Xanthoxic acid;
Xanthoxin acid;
(-)-Xanthoxic acid
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IUPAC name |
(3S,5R,6S,9Z)-3-Hydroxy-4,5-hydro-5,6-epoxy-11-apo-beta-caroten-11-oic acid
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Formula |
C15H22O4
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Molecular Weight |
266.326 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,6S), 9Z, 3-OH, 5,6-Epoxy, 11-COOH, 5,6+H, 11-apo, beta
( Help )
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Biological functions/Properties |
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Number of
conjugated double bonds |
3 including one carboxylic acid (3 in total)
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Number of
conjugated multiple bonds |
3 including one carboxylic acid (3 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 |
1.589
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Hydrogen Bond donors
(Lipinski's definition) |
2
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Hydrogen Bond Acceptors
(Lipinski's definition) |
4
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| LipinskiFailures |
0
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| Complexity of molecule |
0.171
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| Number of heavy atoms |
19
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TPSA
(Topological Polar Surface Area) |
70.060 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 |
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CAS |
50898-52-7
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Links to other DB |
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