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Entry |
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Classification |
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Carotenoid Name
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IUPAC name |
Methyl-3,6-epoxy-5-hydroxy-4,5-dihydro-8'-apo-epsilon,psi-caroten-8'-oate
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Formula |
C31H42O4
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Molecular Weight |
478.646 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 |
Antioxidant activity comparable to astaxanthin (Ref.477).
Antiradical activity (Ref.477).
Orange color - absorption maxima at 227, 280, 322, 396, 418, and 459nm (Ref.477).
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Number of
conjugated double bonds |
9 including carboxylic acid methyl ester (9 in total)
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Number of
conjugated multiple bonds |
9 including carboxylic acid methyl ester (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 |
7.039
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Hydrogen Bond donors
(Lipinski's definition) |
1
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Hydrogen Bond Acceptors
(Lipinski's definition) |
4
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| LipinskiFailures |
1
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| Complexity of molecule |
0.091
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| Number of heavy atoms |
35
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TPSA
(Topological Polar Surface Area) |
55.760 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 |
Ditaxis heterantha (Ref.477) - Land plant: azafrán, azafrancillo (Streptophyta - Euphorbiaceae)
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References |
Ref.477: Marıa D. Mendez-Robles, Herry H. Permady, Marıa E. Jaramillo-Flores, Eugenia C. Lugo-Cervantes, Anaberta Cardador-Martınez, Alejandro A. Canales-Aguirre, Fernando Lopez-Dellamary, Carlos M. Cerda-Garcı´a-Rojas, and Joaquın Tamariz, J. Nat. Prod. 2006, 69, 1140-1144, "C-26 and C-30 Apocarotenoids from Seeds of Ditaxis heterantha with Antioxidant Activity and Protection against DNA Oxidative Damage".
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CAS |
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Links to other DB |
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