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Entry |
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Classification |
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Carotenoid Name
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IUPAC name |
(3R,3'-)-3,3'-Dihydroxy-7,8-didehydro-1',2',7',8'-tetrahydro-6'-methyl-16'-nor-beta,psi-carotene-1',8'-dione
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Formula |
C40H54O4
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Molecular Weight |
598.832 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
(3R,3'-), 7,8--H, 1',2'+H, 7',8'+H, 3-OH, 3'-OH, 1'=O, 8'=O, 16'-nor, beta,psi
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Biological functions/Properties |
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Number of
conjugated double bonds |
8 including one ketone (8 in total)
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Number of
conjugated multiple bonds |
10 including one ketone (10 in total)
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Isomers |
Constitutional isomer: CA00185, CA00266, CA00296, CA00345, CA00534, CA00508, CA00506, CA00565, CA00554, CA00507, CA00509, CA00671, CA00742, CA00741
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InChI |
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InChIKey |
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Canonical SMILES |
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XLogP |
7.580
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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 |
0.061
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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 |
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References |
Ref.270: Y Fujiwara, T Maoka, M Ookubo, T Matsuno - Tetrahedron letters, 1992, Volume 33, Issue 34, 18 August 1992, Pages 4941–4944 "Crassostreaxanthins A and B, novel marine carotenoids from the oyster Crassostrea gigas".
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CAS |
144601-87-6
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Links to other DB |
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