Entry |
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Classification |
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Carotenoid Name
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Pyrrhoxanthinol 5,8-furanoxide
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IUPAC name |
(3S,5R,6S,3'R)-5,8-Epoxy-3,3'-dihydroxy-6,7,7',8'-tetradehydro-5,6,7,8-tetrahydro-12',13',20'-trinor-beta,beta-caroten-19,11-olide
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Formula |
C37H46O5
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Molecular Weight |
570.738 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
(3S,5R,6S,3'R), 6,7--H, 7',8'--H, 5,6+H, 7,8+H, 3-OH, 3'-OH, 5,8-Epoxy, 19,11-olide, 12'-nor, 13'-nor, 20'-nor, beta,beta
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Biological functions/Properties |
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Number of conjugated double bonds |
7 including one lacone (7 in total)
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Number of conjugated multiple bonds |
10 including one lactone (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 |
6.336
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Hydrogen Bond donors (Lipinski's definition) |
2
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Hydrogen Bond Acceptors (Lipinski's definition) |
5
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LipinskiFailures |
1
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Complexity of molecule |
0.352
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Number of heavy atoms |
42
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TPSA (Topological Polar Surface Area) |
75.990 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 |
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References |
Ref.221: Maoka, Takashi; Fujiwara, Yasuhiro; Hashimoto, Keiji; Akimoto, Naoshige, Journal of Agricultural and Food Chemistry (2005), 53(21), 8357-8364. "Carotenoids in Three Species of Corbicula Clams, Corbicula japonica, Corbicula sandai, and Corbicula sp. (Chinese Freshwater Corbicula Clam)". Ref.311: Minh, Chau Van; Kiem, Phan Van; Nguyen, Hoai Nam; Nguyen, Xuan Cuong; Nguyen, Phuong Thao; Nguyen, Hai Dang; Quang, Tran Hong; Nguyen, Tien Dat; Thung, Do Cong; Thuy, Dinh Thi Thuy, Tap Chi Hoa Hoc (2010), 48(5), 627-631., "Carotenoids from the soft coral Sarcophyton elegans".
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CAS |
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Links to other DB |
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