Entry |
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Classification |
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Carotenoid Name
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Cryptoxanthin diepoxide; Cryptoxanthin 5,6:5',6'-diepoxide
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IUPAC name |
5,6:5',6'-Diepoxy-5,6,5',6'-tetrahydro-beta,beta-caroten-3-ol
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Formula |
C40H56O3
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Molecular Weight |
584.848 g/mol
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Structure |
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Mol file
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Carotenoid DB Fingerprints |
Predict biological activities of this carotenoid
5,6+H, 5',6'+H, 3-OH, 5,6-Epoxy, 5',6'-Epoxy, beta,beta
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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, CA00410, CA00436, CA00437, CA00407, CA00408, CA00412, CA00438, CA00409, CA00583, CA00607, CA00606, CA00609, CA00608, CA00618, CA00627, CA00630, CA00624, CA00625, CA01047, CA00761, CA00762, CA00739
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InChI |
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InChIKey |
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Canonical SMILES |
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XLogP |
9.994
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Hydrogen Bond donors (Lipinski's definition) |
1
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Hydrogen Bond Acceptors (Lipinski's definition) |
3
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LipinskiFailures |
1
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Complexity of molecule |
0.323
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Number of heavy atoms |
43
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TPSA (Topological Polar Surface Area) |
45.290 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.31: R. Berger, and S. Liaaen-Jensen, Biochemical Systematics and Ecology, 1977, Vol. 5, pp.71-75 "Carotenoids of Prymnesiophyceae (Haptophyceae)* ". Ref.27: N. J. Antial, and J.Y. Cheng, British Phycological Journal, Volume 17, Issue 1, 1982 "The Keto carotenoids of two marine cocoid members of the eustimaphyceae" DOI:10.1080/00071618200650061 . Ref.28: Luis M. Lubián, Olimpio Montero, Ignacio Moreno-Garrido, I. Emma Huertas, Cristina Sobrino, Manuel González-del Valle, Griselda Parés, Journal of Applied Phycology, October 2000, Volume 12, Issue 3-5, pp 249-255 "Nannochloropsis (Eustigmatophyceae) as source of commercially valuable pigments". Ref.292: Thomas Wingerath ,Wilhelm Stahl ,Dieter Kirsch, Raimund Kaufmann, and Helmut Sies, J. Agric. Food Chem., 1996, 44 (8), pp 2006–2013, DOI: 10.1021/jf960057y, "Fruit Juice Carotenol Fatty Acid Esters and Carotenoids As Identified by Matrix-Assisted Laser Desorption Ionization (MALDI) Mass Spectrometry".
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CAS |
2086-87-5
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Links to other DB |
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