Carotenoids obi
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Carotenoids DB          Carotenoids DB: CA00725   
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Entry
CA00725                                                            
Classification
Carotenoid Name
Isotedanin
IUPAC name 3-Hydroxy-2,3-didehydro-beta,phi-caroten-4-one
Formula
C40H48O2
Molecular Weight 
560.784 g/mol
Structure      Search similar carotenoids

Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
Number of
conjugated double bonds 
15 including one ketone (15 in total)
Number of
conjugated multiple bonds 
15 including one ketone (15 in total)
Isomers 
  • Constitutional isomer: CA01125, CA00463, CA00732, CA00775
    • InChI

    InChIKey

    Canonical SMILES

    XLogP
    14.851
    Hydrogen Bond donors
    (Lipinski's definition)
    1
    Hydrogen Bond Acceptors
    (Lipinski's definition)
    2
    LipinskiFailures
    1
    Complexity of molecule
    0.333
    Number of heavy atoms
    42
    TPSA
    (Topological Polar Surface Area) 
    37.300 Å2
    Reaction
    Pathway
    Major carotenoid information

    Minor carotenoid information

    Source organisms
    Agelas mauritiana (Ref.370) - Sea sponge (Porifera - Agelasidae)
    References
  • Ref.370: Tanaka, Yoshito; Katayama, Teruhisa, Nippon Suisan Gakkaishi (1982), 48(4), 531-3., "The structures of isotedanin and isoclathriaxanthin in sea sponge Agelas mauritiana".
    • CAS
    74947-03-8
    Links to other DB
    KNApSAcK: C00022985

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