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Entry
CA00451                                                            
Classification
Carotenoid Name
Pittosporumxanthin A2
IUPAC name (11',12')-Addition product of (3S,5R,6S,3'S,5'R,6'S)-5,6:5',6'-diepoxy-5,6,5',6'-tetrahydro-beta,beta-carotene-3,3'-triol and alpha-tocopherol
Formula
C69H104O6
Molecular Weight 
1029.522 g/mol
Structure      Search similar carotenoids

Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
Number of
conjugated double bonds 
6, 3, and 2 (11 in total)
Number of
conjugated multiple bonds 
6, 3, and 2 (11 in total)
Isomers 
  • Constitutional isomer: CA00433, CA00450, CA00452, CA00453, CA00432, CA00454, CA00455
    • InChI

    InChIKey

    Canonical SMILES

    XLogP
    18.527
    Hydrogen Bond donors
    (Lipinski's definition)
    2
    Hydrogen Bond Acceptors
    (Lipinski's definition)
    6
    LipinskiFailures
    2
    Complexity of molecule
    0.246
    Number of heavy atoms
    75
    TPSA
    (Topological Polar Surface Area) 
    83.980 Å2
    Reaction
  • Product: CR00465
    • Pathway
    Major carotenoid information

    Minor carotenoid information

    Source organisms
    Pittosporum tobira (Ref.278) - Land plant (Streptophyta - Pittosporaceae)
    References
  • Ref.278: Y Fujiwara, T Maoka, Tetrahedron Letters, 2001, Volume 42, Issue 14, 2 April 2001, Pages 2693–2696, "Structure of pittosporumxanthins A1 and A2, novel C69 carotenoids from the seeds of Pittosporum tobira".
    • CAS
    157660-96-3
    Links to other DB

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