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Entry |
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Classification |
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Carotenoid Name
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2'-Hydroxy-2-keto-3,4-didehydro-β-carotene;
2'-Hydroxy-2-keto-3,4-didehydro-beta-carotene
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IUPAC name |
2'-Hydroxy-3,4-didehydro-beta,beta-caroten-2-one
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Formula |
C40H52O2
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Molecular Weight |
564.816 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 including one ketone (13 in total)
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Number of
conjugated multiple bonds |
13 including one ketone (13 in total)
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Isomers |
Constitutional isomer: CA00183, CA00281, CA00279, CA00280, CA00283, CA00323, CA00468, CA00471, CA00469, CA00470, CA00656, CA00697, CA00698, CA00693, CA01098
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InChI |
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InChIKey |
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Canonical SMILES |
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XLogP |
10.218
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Hydrogen Bond donors
(Lipinski's definition) |
1
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Hydrogen Bond Acceptors
(Lipinski's definition) |
2
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| LipinskiFailures |
1
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| Complexity of molecule |
0.319
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| Number of heavy atoms |
42
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TPSA
(Topological Polar Surface Area) |
37.300 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 |
Extatosoma tiaratum (Ref.308) - Insect: giant prickly stick insect (Arthropoda (Insecta) - Phasmatidae)
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References |
Ref.308: Kayser, Hartmut, Zeitschrift fuer Naturforschung, C: Journal of Biosciences (1981), 36C(9-10), 755-64., "Carotenoids in the stick insect, Ectatosoma tiaratum. Isolation of β,ε-carotene-2-ol and β,ε-carotene-2-one".
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CAS |
63596-36-1
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Links to other DB |
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