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Entry |
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Classification |
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Carotenoid Name
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IUPAC name |
(3S,5R,8S,3'R)-5,8-Epoxy-5,8-dihydro-beta,beta-carotene-3,3'-diol
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Formula |
C40H56O3
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Molecular Weight |
584.848 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
(3S,5R,8S,3'R), 5,8+H, 3-OH, 3'-OH, 5,8-Epoxy, beta,beta
( Help )
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Biological functions/Properties |
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Number of
conjugated double bonds |
9
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Number of
conjugated multiple bonds |
9
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Isomers |
Constitutional isomer: CA00227, CA00228, CA00394, CA00340, CA00377, CA00378, CA00339, CA00342, CA00338, CA00341, CA00407, CA00408, CA00412, CA00438, CA00411, CA00409, CA00583, CA00607, CA00606, CA00609, CA00608, CA00618, CA00627, CA00630, CA00624, CA00625, CA01047, CA00761, CA00762, CA00739
Conformer: CA00410, CA00436
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InChI |
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InChIKey |
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Canonical SMILES |
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XLogP |
8.510
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Hydrogen Bond donors
(Lipinski's definition) |
2
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Hydrogen Bond Acceptors
(Lipinski's definition) |
3
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| LipinskiFailures |
1
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| Complexity of molecule |
0.313
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| Number of heavy atoms |
43
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TPSA
(Topological Polar Surface Area) |
49.690 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 |
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References |
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CAS |
85202-00-2
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Links to other DB |
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