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Entry |
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Classification |
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Carotenoid Name
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IUPAC name |
(3S,5R,3'S,5'R)-3,3'-Dihydroxy-kappa,kappa-carotene-6,6'-dione
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Formula |
C40H56O4
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Molecular Weight |
600.848 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 |
11 including two ketones (11 in total)
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Number of
conjugated multiple bonds |
11 including two ketones (11 in total)
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Isomers |
Constitutional isomer: CA00137, CA01092, CA01100, CA01101, CA00350, CA00347, CA00979, CA01093, CA01094, CA00348, CA00349, CA00346, CA00965, CA00415, CA00439, CA00440, CA00419, CA00441, CA00442, CA00443, CA00444, CA00445, CA00414, CA00421, CA00420, CA00417, CA00418, CA00416, CA00555, CA00584, CA00626, CA00631, CA00647, CA00648, CA00701, CA00746, CA00745, CA00744, CA00747, CA00743
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InChI |
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InChIKey |
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Canonical SMILES |
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XLogP |
9.220
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Hydrogen Bond donors
(Lipinski's definition) |
2
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Hydrogen Bond Acceptors
(Lipinski's definition) |
4
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| LipinskiFailures |
2
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| Complexity of molecule |
0.300
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| Number of heavy atoms |
44
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TPSA
(Topological Polar Surface Area) |
74.600 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 |
Capsicum annuum (Ref.298) - Land plant: red pepper (Streptophyta - Solanaceae)
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References |
Ref.298: M. S. Barber, L. M. Jackman, C. K. Warren, and B. C. L. Weedon, J. Chem. Soc., 1961, 4019-4024, DOI: 10.1039/JR9610004019, "782. Carotenoids and related compounds. Part IX. The structures of capsanthin and capsorubin".
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CAS |
470-38-2
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Links to other DB |
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