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Entry |
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Classification |
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Carotenoid Name
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IUPAC name |
(3S,3'S,5'S,6'R,9'Z)-3,3'-dihydroxy-5,6-seco-5',6'-epoxy-beta,beta-carotene-5,6-dione-3-myristate
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Formula |
C54H82O6
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Molecular Weight |
827.196 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
(3S,3'S,5'S,6'R), 9'Z, 3-OH, 5,6-seco, 5=O, 6=O, 3-Tetradecanoyloxy, 3'-OH, 5',6'-Epoxy, 5',6'+H, 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 |
14.952
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Hydrogen Bond donors
(Lipinski's definition) |
1
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Hydrogen Bond Acceptors
(Lipinski's definition) |
6
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| LipinskiFailures |
2
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| Complexity of molecule |
0.049
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| Number of heavy atoms |
60
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TPSA
(Topological Polar Surface Area) |
93.200 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 |
Pittosporum tobira (Ref.403, Ref.404, Ref.405) - Land plant (Streptophyta - Pittosporaceae)
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References |
Ref.403: Maoka, Takashi; Hashimoto, Keiji; Manabe, Kiyoshi; Fujiwara, Yasuhiro, Tennen Yuki Kagobutsu Toronkai Koen Yoshishu (1997), 39th, 487-492., "Structures of novel red carotenoids, tobiraxanthins from the seeds of Pittosporum tobira".
Ref.404: Fujiwara, Yasuhiro; Hashimoto, Keiji; Manabe, Kiyoshi; Maoka, Takashi, Tetrahedron Letters (2002), 43(24), 4385-4388., "Structures of tobiraxanthins A1, A2, A3, B, C and D, new carotenoids from the seeds of Pittosporum tobira".
Ref.405: Maoka, Takashi; Fujiwara, Yasuhiro; Hashimoto, Keiji; Akimoto, Naoshige, Phytochemistry (Elsevier) (2006), 67(19), 2120-2125., "5-Hydroxy-seco-carotenoids from Pittosporum tobira".
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CAS |
229314-59-4
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Links to other DB |
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