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Entry |
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Classification |
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Carotenoid Name
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2,5-Epoxy-megastigma-6(Z),8(E)-diene
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IUPAC name |
10-Apo-2,5-epoxy-6,7,8,9-tetradehydro-7,8,9,10-tetrahydro-19-nor-beta-carotene
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Formula |
C13H20O
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Molecular Weight |
192.29 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
10-apo, 2,5-Epoxy, 6,7--H, 8,9--H, 7,8+H, 9,10+H, beta, 19-nor
( Help )
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Biological functions/Properties |
Unique aroma component in Osmanthus flower (Ref.623).
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Number of
conjugated double bonds |
2
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Number of
conjugated multiple bonds |
2
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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 |
2.574
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Hydrogen Bond donors
(Lipinski's definition) |
0
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Hydrogen Bond Acceptors
(Lipinski's definition) |
1
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| LipinskiFailures |
0
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| Complexity of molecule |
0.206
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| Number of heavy atoms |
14
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TPSA
(Topological Polar Surface Area) |
9.230 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 |
Boronia megastigma (Ref.623) - Land plant: brown boronia (Streptophyta - Rutaceae)Osmanthus fragrance (Ref.623) - Land plant: sweet osmanthus, Osmanthus fragrans (Thunb.) Lour. (Streptophyta - Oleaceae)
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References |
Ref.623: Peter Winterhalter and Russell Rouseff, ”Carotenoid-Derived Aroma Compounds: An Introduction”, ACS Symposium Series; American Chemical Society: Washington, DC, 2001., doi: 10.1021/bk-2002-0802.ch001.
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CAS |
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Links to other DB |
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