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Entry |
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Classification |
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Carotenoid Name
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Hexadehydro-β-caroten-3-ol;
Hexadehydro-beta-carotene-3-ol
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IUPAC name |
(3R)-7,8,3',4',7',8'-Hexahydro-beta,beta-carotene-3-ol
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Formula |
C40H50O
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Molecular Weight |
546.8 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 and 2 (9 in total)
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Number of
conjugated multiple bonds |
7 and 2 (9 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 |
12.467
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Hydrogen Bond donors
(Lipinski's definition) |
1
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Hydrogen Bond Acceptors
(Lipinski's definition) |
1
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| LipinskiFailures |
1
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| Complexity of molecule |
0.330
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| Number of heavy atoms |
41
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TPSA
(Topological Polar Surface Area) |
20.230 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 |
-
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Links to other DB |
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