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Entry |
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Classification |
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Carotenoid Name
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IUPAC name |
1,2-Epoxy-1,2,7,8,11,12,7',8'-octahydro-psi,psi-carotene
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Formula |
C40H62O
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Molecular Weight |
558.896 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
1,2+H, 7,8+H, 11,12+H, 7',8'+H, 1,2-Epoxy, psi,psi
( Help )
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Biological functions/Properties |
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Number of
conjugated double bonds |
5
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Number of
conjugated multiple bonds |
5
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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 |
13.381
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Hydrogen Bond donors
(Lipinski's definition) |
0
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Hydrogen Bond Acceptors
(Lipinski's definition) |
1
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| LipinskiFailures |
2
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| Complexity of molecule |
0.029
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| Number of heavy atoms |
41
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TPSA
(Topological Polar Surface Area) |
12.530 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 |
Solanum lycopersicum (Ref.346) - Land plant: Solanaceae: tomato, same as Lycopersicon esculentum (Streptophyta - Solanaceae)
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References |
Ref.346: Avraham Ben-Aziz, George Britton, Trevor W. Goodwin, Phytochemistry, Volume 12, Issue 11, November 1973, Pages 2759-2764, "Carotene epoxides of Lycopersicon esculentum".
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CAS |
51599-11-2
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Links to other DB |
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