Carotenoids obi
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Carotenoids DB          Carotenoids DB: CA00769   
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Entry
CA00769                                                            
Classification
Carotenoid Name
7,8-Didehydroisorenieratene
IUPAC name 7,8-Didehydro-phi,phi-carotene
Formula
C40H46
Molecular Weight 
526.768 g/mol
Structure      Search similar carotenoids

Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
Number of
conjugated double bonds 
11 and 3 (14 in total)
Number of
conjugated multiple bonds 
15
Isomers 
  • Constitutional isomer: CA00780
    • InChI

    InChIKey

    Canonical SMILES

    XLogP
    17.340
    Hydrogen Bond donors
    (Lipinski's definition)
    0
    Hydrogen Bond Acceptors
    (Lipinski's definition)
    0
    LipinskiFailures
    1
    Complexity of molecule
    0.349
    Number of heavy atoms
    40
    TPSA
    (Topological Polar Surface Area) 
    0.000 Å2
    Reaction
    Pathway
    Major carotenoid information

    Minor carotenoid information

    Source organisms
    Reniera japonica (Ref.261) - Sea sponge (Porifera - Unclassified Porifera)
    References
  • Ref.261: Hamasaki, Toshio; Okukado, Nobuhisa; Yamaguchi, Masaru, Bulletin of the Chemical Society of Japan (1973), 46(6), 1884-5., "Two natural acetylenic aromatic carotenoids".
    • CAS
    43161-29-1
    Links to other DB
    KNApSAcK: C00022815

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