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Entry
CA00980                                                            
Classification
Carotenoid Name
Diatoxanthin 3,6-epoxide;
Cyclodiadinoxanthin
IUPAC name (3S,5R,6S,3'R)-3,6-Epoxy-7',8'-didehydro-5,6-hydro-beta,beta-carotene-5,3'-diol
Formula
C40H54O3
Molecular Weight 
582.832 g/mol
Structure      Search similar carotenoids

Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
Number of
conjugated double bonds 
8
Number of
conjugated multiple bonds 
10
Isomers 
InChI

InChIKey

Canonical SMILES

XLogP
9.730
Hydrogen Bond donors
(Lipinski's definition)
2
Hydrogen Bond Acceptors
(Lipinski's definition)
3
LipinskiFailures
1
Complexity of molecule
0.320
Number of heavy atoms
43
TPSA
(Topological Polar Surface Area) 
49.690 Å2
Reaction
  • Product: CR00175
    • Pathway
    Major carotenoid information

    Minor carotenoid information

    Source organisms
    Corbicula clams (Ref.221) - Shellfish: bivalve (Mollusca - Corbiculidae)
    Corbicula japonica (Ref.221) - Shellfish: bivalve (Mollusca - Corbiculidae)
    Corbicula sandai (Ref.221) - Shellfish: bivalve (Mollusca - Corbiculidae)
    Crassostrea gigas (Ref.483) - Shellfish: pacific oyster (Mollusca - Ostreidae)
    References
  • Ref.221: Maoka, Takashi; Fujiwara, Yasuhiro; Hashimoto, Keiji; Akimoto, Naoshige, Journal of Agricultural and Food Chemistry (2005), 53(21), 8357-8364. "Carotenoids in Three Species of Corbicula Clams, Corbicula japonica, Corbicula sandai, and Corbicula sp. (Chinese Freshwater Corbicula Clam)".
  • Ref.483: Takashi Maoka, Keiji Hashimoto, Naoshige Akimoto, and Yasuhiro Fujiwara, J. Nat. Prod., 2001, 64 (5), pp 578–581, DOI: 10.1021/np000476w, "Structures of Five New Carotenoids from the Oyster Crassostrea gigas".
    • CAS
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    Links to other DB

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