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Entry |
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Classification |
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Carotenoid Name
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Fucoxanthin pyropheophorbide A ester
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IUPAC name |
(3S,5R,6S,3'S,5'R,6'R)-3'-[(3S,4S)-9-ethenyl-14-ethyl-4,8,13,18-tetramethyl-20-oxo-3-phorbinepropanoate]-5,6-Epoxy-3'-ethanoyloxy-3,5'-dihydroxy-6',7'-didehydro-5,6,7,8,5',6'-hexahydro-beta,beta-caroten-8-one
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Formula |
C75H90N4O8
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Molecular Weight |
1175.51 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,5R,6S,3'S,5'R,6'R), 6',7'--H, 5,6+H, 7,8+H, 5',6'+H, 3-OH, 5'-OH, 3'-Ethanoyloxy, 8=O, 5,6-Epoxy, beta,beta, Complex derivative5b, 3-ester
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Biological functions/Properties |
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Number of
conjugated double bonds |
9 and 12 including one ketone (21 in total)
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Number of
conjugated multiple bonds |
9 and 12 (21 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 |
15.563
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Hydrogen Bond donors
(Lipinski's definition) |
3
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Hydrogen Bond Acceptors
(Lipinski's definition) |
12
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| LipinskiFailures |
3
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| Complexity of molecule |
0.345
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| Number of heavy atoms |
87
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TPSA
(Topological Polar Surface Area) |
176.860 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.157: Maoka, Takashi; Etoh, Tetsuji; Akimoto, Naoshige; Yasui, Hiroyuki, Tetrahedron Letters (2011), Volume52 Issue23 Pages3012-3015, DOI:10.1016/j.tetlet.2011.03.14, "Novel carotenoid pyropheophorbide A esters from abalone".
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CAS |
171882-97-6
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Links to other DB |
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