Carotenoids obi
All carotenoids     All organisms     All pathways     All reactions     Feedback
Carotenoids DB          Carotenoids DB: CA01077   
[   About  |   Help  |   Search carotenoid entry  |   Search organism entry  |   Search similar carotenoids  |   Predict biological activities of this carotenoid  |   Search possible biosynthetic routes of this carotenoid   ]
Entry
CA01077                                                            
Classification
Carotenoid Name
IUPAC name (3R,5R,6S,3'R,5'R,6'S)-3,6-Epoxy-5-hydroxy-1',2',5',6',7',8'-hexahydro-16'-nor-beta,psi-carotene-1',8'-dione
Formula
C40H56O5
Molecular Weight 
616.848 g/mol
Structure      Search similar carotenoids

Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
Number of
conjugated double bonds 
9 including one ketone (9 in total)
Number of
conjugated multiple bonds 
9 including one ketone (9 in total)
Isomers 
  • Constitutional isomer: CA00424, CA00512, CA00513, CA00650, CA01080, CA01081
    • InChI

    InChIKey

    Canonical SMILES

    XLogP
    7.719
    Hydrogen Bond donors
    (Lipinski's definition)
    1
    Hydrogen Bond Acceptors
    (Lipinski's definition)
    5
    LipinskiFailures
    2
    Complexity of molecule
    0.297
    Number of heavy atoms
    45
    TPSA
    (Topological Polar Surface Area) 
    72.830 Å2
    Reaction
    Pathway
    Major carotenoid information

    Minor carotenoid information

    Source organisms
    Crassostrea gigas (Ref.483) - Shellfish: pacific oyster (Mollusca - Ostreidae)
    References
  • 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

    Links to other DB

       Searching other references with Google Scholar or searching the colour of this carotenoid by Google image search