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Entry
CA01050                                                            

Classification
Carotenoid Name
Cucumariaxanthins C;
Cucumariaxanthin C;
(9Z,9'Z)-5,6,5',6'-Tetrahydro-β,β-carotene-4,4'-diol
IUPAC name (4S,5S,6S,4'S,5'S,6'S)-(9Z,9'Z)-5,6,5',6'-tetrahydro-beta,beta-carotene-4,4'-diol
Formula
C42H62O2
Molecular Weight 
598.916 g/mol
Structure      Search similar carotenoids

Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
Number of
conjugated double bonds 
10
Number of
conjugated multiple bonds 
10
Isomers 
InChI

InChIKey

Canonical SMILES

XLogP
13.446
Hydrogen Bond donors
(Lipinski's definition)
2
Hydrogen Bond Acceptors
(Lipinski's definition)
2
LipinskiFailures
2
Complexity of molecule
0.302
Number of heavy atoms
44
TPSA
(Topological Polar Surface Area) 
40.460 Å2
Reaction
Pathway
Major carotenoid information
Major carotenoid in the sea cucumber Cucumaria japonica (Ref.763).
Minor carotenoid information

Source organisms
Cucumaria japonica (Ref.432) - northern sea cucumber (Echinodermata - Cucumariidae)
References
  • Ref.432: Miyuki Tsushima, Yasuhiro Fujiwara ,and Takao Matsuno, J. Nat. Prod., 1996, 59 (1), pp 30–34, DOI: 10.1021/np960022s, "Novel Marine di-Z-Carotenoids:  Cucumariaxanthins A, B, and C from the Sea Cucumber Cucumaria japonica".
  • 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”.
  • CAS
    167818-25-9
    Links to other DB

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