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Entry
CA00431                                                            
Classification
Carotenoid Name
Pittosporumxanthin B
IUPAC name (11,12)-Addition product of (3S,5R,6S,3'R)-5,6-epoxy-5,6-dihydro-beta,beta-carotene-3,3'-diol and alpha-tocopherol
Formula
C69H104O5
Molecular Weight 
1013.522 g/mol
Structure      Search similar carotenoids

Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
Number of
conjugated double bonds 
7, 3, and 2 (12 in total)
Number of
conjugated multiple bonds 
7, 3, and 2 (12 in total)
Isomers 
  • Constitutional isomer: CA00458, CA00449
    • InChI

    InChIKey

    Canonical SMILES

    XLogP
    19.327
    Hydrogen Bond donors
    (Lipinski's definition)
    2
    Hydrogen Bond Acceptors
    (Lipinski's definition)
    5
    LipinskiFailures
    2
    Complexity of molecule
    0.242
    Number of heavy atoms
    74
    TPSA
    (Topological Polar Surface Area) 
    71.450 Å2
    Reaction
    Pathway
    Major carotenoid information

    Minor carotenoid information

    Source organisms
    Pittosporum tobira  - Land plant (Streptophyta - Pittosporaceae)
    References

    CAS
    -
    Links to other DB

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