Entry |
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Classification |
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Carotenoid Name
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Tetradehydro-2,2,diketo-β-carotene; Tetradehydro-2,2,diketo-beta-carotene
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IUPAC name |
3,4,3',4'-Tetradehydro-beta,beta-carotene-2,2'-dione
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Formula |
C40H48O2
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Molecular Weight |
560.784 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 |
15 including two ketones (15 in total)
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Number of conjugated multiple bonds |
15 including two ketones (15 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 |
10.716
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Hydrogen Bond donors (Lipinski's definition) |
0
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Hydrogen Bond Acceptors (Lipinski's definition) |
2
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LipinskiFailures |
1
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Complexity of molecule |
0.333
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Number of heavy atoms |
42
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TPSA (Topological Polar Surface Area) |
34.140 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 |
63596-34-9
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Links to other DB |
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