Entry |
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Classification |
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Carotenoid Name
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(6R,7E,9R)-9-Hydroxy-4,7-megastigmadien-3-one
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IUPAC name |
(6R,9R)-9-Apo-9,10-dihydro-epsilon-caroten-3,3,9-triol
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Formula |
C13H22O3
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Molecular Weight |
226.306 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
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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 |
1.567
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Hydrogen Bond donors (Lipinski's definition) |
3
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Hydrogen Bond Acceptors (Lipinski's definition) |
3
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LipinskiFailures |
0
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Complexity of molecule |
0.158
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Number of heavy atoms |
16
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TPSA (Topological Polar Surface Area) |
60.690 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 |
Chenopodium album (Ref.167) - Land plant: white goosefoot, lamb's-quarters (Streptophyta - Amaranthaceae)
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References |
Ref.167: Della Greca, Marina; Di Marino, Cinzia; Zarrelli, Armando; D'Abrosca, Brigida, Journal of Natural Products, Volume67, Issue9, Pages1492-1495, Journal, 2004, CODEN:JNPRDF ISSN:0163-3864 DOI:10.1021/np049857q, "Isolation and phytotoxicity of apocarotenoids from Chenopodium album".
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CAS |
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Links to other DB |
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