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Entry |
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Classification |
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Carotenoid Name
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(13Z)-Crocetin;
13-cis-Crocetin
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IUPAC name |
(13Z)-Digentiobiosyl-8,8'-diapocarotene-8,8'-dioate
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Formula |
C44H64O24
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Molecular Weight |
976.952 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 |
9 including two carboxylic acid glucosylates (9 in total)
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Number of
conjugated multiple bonds |
9 and 7 including two carboxylic acid glucosylates (16 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 |
-1.214
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Hydrogen Bond donors
(Lipinski's definition) |
14
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Hydrogen Bond Acceptors
(Lipinski's definition) |
24
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| LipinskiFailures |
3
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| Complexity of molecule |
0.348
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| Number of heavy atoms |
68
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TPSA
(Topological Polar Surface Area) |
391.200 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 |
Crocus sativus (Ref.321) - Land plant: saffron crocus (Streptophyta - Iridaceae)
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References |
Ref.321: Pfander, H., and Wittwer, F. (1975) Carotinoid-Glykoside 2. Mitteilung Untersuchungen zur Carotinoid-Zusammensetzung im Safran, Helv. Chim. Acta 58, 1608–1620..
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CAS |
239795-78-9
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Links to other DB |
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