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Entry |
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Classification |
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Carotenoid Name
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3-oxo-α-Ionol;
3-oxo-alpha-Ionol;
(6R,9S)-9,10-dihydroxy-4-megastigmen-3-one
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IUPAC name |
(6R,9S)-9,10-dihydro-9,19-dihydroxy-9-apo-epsilonn-caroten-3-one
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Formula |
C13H20O3
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Molecular Weight |
224.29 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 |
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Number of
conjugated double bonds |
2 including one ketone (2 in total)
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Number of
conjugated multiple bonds |
2 including one ketone (2 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 |
1.047
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Hydrogen Bond donors
(Lipinski's definition) |
2
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Hydrogen Bond Acceptors
(Lipinski's definition) |
3
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| LipinskiFailures |
0
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| Complexity of molecule |
0.167
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| Number of heavy atoms |
16
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TPSA
(Topological Polar Surface Area) |
57.530 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 |
Vitis sp. (Ref.155) - Land plant: grapevine (Streptophyta - Vitaceae)
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References |
Ref.155: N. Takatani, K. Nishida, T. Sawabe, T. Maoka, K. Miyashita, M. Hosokawa, Applied Microbiology and Biotechnology (2014), Volume 98, Issue 15, pp 6633-6640, "Identification of a novel carotenoid, 2'-isopentenylsaproxanthin, by Jejuia pallidilutea strain 11shimoA1 and its increased production under alkaline condition".
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CAS |
34318-21-3
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Links to other DB |
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