Entry |
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Classification |
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Carotenoid Name
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IUPAC name |
(all-E,5'R)-beta,kappa-carotene-6'-one
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Formula |
C40H56O
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Molecular Weight |
552.848 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 |
Provitamin A (Ref.170).
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Number of conjugated double bonds |
11 including one ketone (11 in total)
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Number of conjugated multiple bonds |
11 including one ketone (11 in total)
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Isomers |
Constitutional isomer: CA01212, CA00070, CA00122, CA00071, CA00983, CA00149, CA00150, CA00217, CA00231, CA00232, CA00199, CA00198, CA00247, CA00302, CA00304, CA00371, CA00321, CA00322, CA00372, CA00396, CA00398, CA00397, CA00593, CA00595, CA00591, CA00613, CA00594, CA00592, CA00628, CA00629
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InChI |
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InChIKey |
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Canonical SMILES |
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XLogP |
13.429
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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 |
0.309
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Number of heavy atoms |
41
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TPSA (Topological Polar Surface Area) |
17.070 Å2
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Reaction |
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Pathway |
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Major carotenoid information |
Main carotenoid in red mamey (Ref.759).
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Minor carotenoid information |
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Source organisms |
Pouteria sapota (Ref.170) - Land plant: red mamey sapote, species of tree native to Cuba and Central America. Fruit is commonly eaten in many Latin American countries. It is is about 10 to 25 cm (4 to 10 in) long and 8 to 12 cm (3 to 4.5 in) wide and has flesh ranging in color from pink to orange to red. The fruit's texture is creamy and soft, the flavor is a mix of sweet potato, pumpkin, honey, prune, peach, apricot, cantaloupe, cherry, and almond. (Streptophyta - Chrysophylloideae)
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References |
Ref.170: Murillo E, McLean R, Britton G, Agócs A, Nagy V, Deli J., J Nat Prod. 2011 Feb 25;74(2):283-5. doi: 10.1021/np1006982. Epub 2011 Jan 7., "Sapotexanthin, an A-provitamin carotenoid from red mamey (Pouteria sapota).". Ref.759: Enrique Murillo, Attila Agócs, Veronika Nagy, Sándor Balázs Király, Tibor Kurtán, Eunice Molinar Toribio, Johant Lakey-Beitia, József Deli, Chirality. 2020;32:579–587., DOI: 10.1002/chir.23206, "Isolation and identification of sapotexanthin 5,6-epoxide and 5,8-epoxide from red mamey (Pouteria sapota)".
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CAS |
1263310-75-3
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Links to other DB |
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