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Entry |
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Classification |
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Carotenoid Name
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Octadehydro-β-carotene;
Octadehydro-beta-carotene
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IUPAC name |
3,4,7,8,3',4',7',8'-Octadehydro-beta,beta-carotene
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Formula |
C40H48
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Molecular Weight |
528.784 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 |
7, 2, and 2 (11 in total)
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Number of
conjugated multiple bonds |
13
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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 |
14.438
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Hydrogen Bond donors
(Lipinski's definition) |
0
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Hydrogen Bond Acceptors
(Lipinski's definition) |
0
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| LipinskiFailures |
1
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| Complexity of molecule |
0.341
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| Number of heavy atoms |
40
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TPSA
(Topological Polar Surface Area) |
0.000 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.44: A. Fiksdahl, S. Liaaen-Jensen, Phytochemistry, Vol.27, No.5, pp. 1447 - 1450, 1988 "Diacetylenic carotenoids from Euglena viridis".
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CAS |
116180-16-6
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Links to other DB |
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