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Entry |
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Classification |
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Carotenoid Name
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IUPAC name |
9-Apo-17,5-epoxy-5,6,7,8-tetrahydro-beta-caroten-3,9-dione
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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 |
An allelochemical - inhibites the germination, but stimulates the root growth of onion (Allium cepa) (Ref.401).
Potential use as natural herbicide template (Ref.401).
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Number of
conjugated double bonds |
0
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Number of
conjugated multiple bonds |
0
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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 |
0.711
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Hydrogen Bond donors
(Lipinski's definition) |
0
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Hydrogen Bond Acceptors
(Lipinski's definition) |
3
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| LipinskiFailures |
0
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| Complexity of molecule |
0.222
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| Number of heavy atoms |
16
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TPSA
(Topological Polar Surface Area) |
43.370 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.400: Macias, Francisco A.; Lopez, Adriana; Varela, Rosa M.; Torres, Ascension; Molinillo, Jose M. G., Phytochemistry (Elsevier) (2004), 65(22), 3057-3063., "Bioactive apocarotenoids annuionones F and G: structural revision of annuionones A, B and E".
Ref.401: Luiz Cláudio Almeida Barbosa, Róbson Ricardo Teixeira, Ricardo Marques Montanari, 2009, "PHYTOTOXIC NATURAL PRODUCTS AS MODELS FOR THE DEVELOPMENT OF CROP PROTECTION AGENTS".
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CAS |
201288-96-2
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Links to other DB |
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