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Entry |
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Classification |
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Carotenoid Name
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(3R,3'R,5S)-3,3',5,19'-tetrahydroxy-7',8'-didehydro-γ,ε-carotene-8-one
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IUPAC name |
(3R,3'R,5S)-3,3',5,19'-tetrahydroxy-7',8'-didehydro-gamma,epsilon-carotene-8-one
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Formula |
C40H55O5
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Molecular Weight |
615.84 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'R,5S), 3-OH, 3'-OH, 5-OH, 19'-OH, 7',8'--H, 8=O, gamma,epsilon
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Biological functions/Properties |
Anticarcinogenic activity - cytotoxic toward cultured human colon tumor cells, HCT 116 (Ref.509).
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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 |
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InChI |
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InChIKey |
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Canonical SMILES |
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XLogP |
-
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Hydrogen Bond donors
(Lipinski's definition) |
0
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Hydrogen Bond Acceptors
(Lipinski's definition) |
5
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| LipinskiFailures |
0
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| Complexity of molecule |
0.667
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| Number of heavy atoms |
45
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TPSA
(Topological Polar Surface Area) |
17.070 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 |
Prianos osiros (Ref.509) - Sea sponge (Porifera - Unclassified Porifera)
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References |
Ref.509: Evan W. Rogers and Tadeusz F. Molinski, J. Nat. Prod., 2005, 68 (3), pp 450–452, DOI: 10.1021/np0497797, "A Cytotoxic Carotenoid from the Marine Sponge Prianos osiros".
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CAS |
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Links to other DB |
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