Entry |
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Classification |
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Carotenoid Name
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Cucumariaxanthins B; Cucumariaxanthin B
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IUPAC name |
(5S,6S,4'S,5'S,6'S)-(9Z,9'Z)-4'-hydroxy-5,6,5',6'-tetrahydro-beta,beta-caroten-4-one
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Formula |
C42H60O2
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Molecular Weight |
596.9 g/mol
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Structure |
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Mol file
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Carotenoid DB Fingerprints |
Predict biological activities of this carotenoid
(5S,6S,4'S,5'S,6'S), 9Z, 9'Z, 5,6+H, 5',6'+H, 4=O, 4'-OH, beta,beta
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Biological functions/Properties |
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Number of conjugated double bonds |
10 including one ketone (10 in total)
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Number of conjugated multiple bonds |
10 including one ketone (10 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 |
13.033
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Hydrogen Bond donors (Lipinski's definition) |
1
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Hydrogen Bond Acceptors (Lipinski's definition) |
2
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LipinskiFailures |
2
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Complexity of molecule |
0.308
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Number of heavy atoms |
44
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TPSA (Topological Polar Surface Area) |
37.300 Å2
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Reaction |
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Pathway |
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Major carotenoid information |
Major carotenoid in the sea cucumber Cucumaria japonica. (Ref.763)
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Minor carotenoid information |
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Source organisms |
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References |
Ref.432: Miyuki Tsushima, Yasuhiro Fujiwara ,and Takao Matsuno, J. Nat. Prod., 1996, 59 (1), pp 30–34, DOI: 10.1021/np960022s, "Novel Marine di-Z-Carotenoids: Cucumariaxanthins A, B, and C from the Sea Cucumber Cucumaria japonica". Ref.763: Takashi Maoka, Syu Nakachi, Ryouhei Kobayashi, Miho Mori, Yoshikazu Sakagami, / Tetrahedron Letters 56 (2015) 5954–5955, http://dx.doi.org/10.1016/j.tetlet.2015.09.060, “A new carotenoid, 9Z,9'Z-tetrahydroastaxanthin, from the sea cucumber Plesiocolochirus minutus”.
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CAS |
167818-24-8
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Links to other DB |
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