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Entry |
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Classification |
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Carotenoid Name
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Crocetin;
α-Crocetin;
alpha-Crocetin
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IUPAC name |
8,8'-Diapocarotene-8,8'-dioic acid
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Formula |
C20H24O4
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Molecular Weight |
328.392 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 |
Yellow food coloring (Ref.468).
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Number of
conjugated double bonds |
9 including two carboxylic acids (9 in total)
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Number of
conjugated multiple bonds |
9 including carboxylic acid and carboxylic acid glucoside ester (9 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 |
4.472
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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 |
0
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| Complexity of molecule |
0.000
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| Number of heavy atoms |
24
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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.468: Gerard P. Moss, Herbert Baxter, J.B. Harborne, Gerald P. Moss, CRC Press; 1 edition (February 15, 1993), ISBN-10: 0850667364, ISBN-13: 978-0850667363, "Phytochemical Dictionary: A Handbook of Bioactive Compounds from Plants".
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CAS |
27876-94-4
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Links to other DB |
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