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Entry
CA01049                                                            

Classification
Carotenoid Name
Cucumariaxanthins B;
Cucumariaxanthin B
IUPAC name (5S,6S,4'S,5'S,6'S)-(9Z,9'Z)-4'-hydroxy-5,6,5',6'-tetrahydro-beta,beta-caroten-4-one
Formula
C42H60O2
Molecular Weight 
596.9 g/mol
Structure      Search similar carotenoids

Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
Number of
conjugated double bonds 
10 including one ketone (10 in total)
Number of
conjugated multiple bonds 
10 including one ketone (10 in total)
Isomers 
InChI

InChIKey

Canonical SMILES

XLogP
13.033
Hydrogen Bond donors
(Lipinski's definition)
1
Hydrogen Bond Acceptors
(Lipinski's definition)
2
LipinskiFailures
2
Complexity of molecule
0.308
Number of heavy atoms
44
TPSA
(Topological Polar Surface Area) 
37.300 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
    167818-24-8
    Links to other DB

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