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Entry |
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Classification |
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Carotenoid Name
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IUPAC name |
(2S)-1,2-Epoxy-1,2-dihydro-psi,psi-carotene
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Formula |
C40H56O
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Molecular Weight |
552.848 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
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Number of
conjugated multiple bonds |
11
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Isomers |
Constitutional isomer: CA01212, CA00070, CA00122, CA00071, CA00983, CA00150, CA00217, CA00231, CA00232, CA00199, CA00198, CA00247, CA00302, CA00304, CA00371, CA00321, CA00322, CA00372, CA00396, CA00398, CA00397, CA00593, CA00595, CA00591, CA00613, CA00594, CA00592, CA00628, CA00629, CA00760
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InChI |
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InChIKey |
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Canonical SMILES |
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XLogP |
13.255
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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 |
2
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| Complexity of molecule |
0.031
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| Number of heavy atoms |
41
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TPSA
(Topological Polar Surface Area) |
12.530 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 |
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References |
Ref.345: Khachik, Frederick; Pfander, Hanspeter; Traber, Bruno, Journal of Agricultural and Food Chemistry (1998), 46(12), 4885-4890., "Proposed Mechanisms for the Formation of Synthetic and Naturally Occurring Metabolites of Lycopene in Tomato Products and Human Serum".
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CAS |
51599-09-8
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Links to other DB |
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