Entry |
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Classification |
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Carotenoid Name
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IUPAC name |
3,3'-Dihydroxy-beta,beta-carotene-4,4'-dione
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Formula |
C40H52O4
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Molecular Weight |
596.816 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 |
13 including one ketone (13 in total)
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Number of conjugated multiple bonds |
13 including one ketone (13 in total)
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Isomers |
Constitutional isomer: CA00169, CA00344, CA00532, CA00503, CA00504, CA00499, CA00497, CA00498, CA00549, CA00662, CA00646, CA00674, CA00740, CA00786 Cis/trans isomer: CA00551, CA00552, CA00553
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InChI |
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InChIKey |
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Canonical SMILES |
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XLogP |
9.696
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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 |
1
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Complexity of molecule |
0.312
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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 |
Major components found in the gonads of sea cucumbers (Ref.763).
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Minor carotenoid information |
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Source organisms |
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References |
Ref.609: Prof. Dr. B. Czeczuga and Doz. Dr. R. Doll, Journal of Botanical Taxonomy and Geobatany, Volume 102, Issue 5-6, pages 431–436, 1991, DOI: 10.1002/fedr.19911020518, "The carotenoid content of lichens of the Cladonia genus from Mecklenburg". Ref.763: Takashi Maoka, Syu Nakachi, Ryouhei Kobayashi, Miho Mori, Yoshikazu Sakagami, / Tetrahedron Letters 56 (2015) 5954–5955, http://dx.doi.org/10.1016/j.tetlet.2015.09.060, “A new carotenoid, 9Z,9'Z-tetrahydroastaxanthin, from the sea cucumber Plesiocolochirus minutus”.
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CAS |
472-61-7
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Links to other DB |
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