Carotenoids obi
All carotenoids     All organisms     All pathways     All reactions     Feedback
Carotenoids DB          Carotenoids DB: CA00449   
[   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
CA00449                                                            

Classification
Carotenoid Name
Pittosporumxanthin B2
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: CA00431, CA00458
  • 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 (Ref.279) - Land plant (Streptophyta - Pittosporaceae)
    References
  • Ref.279: T. Maoka, N. Akimoto, Y. Kuroda, K. Hashimoto, and Y.Fujiwara, J. Nat. Prod., 2008, 71 (4), pp 622–627, DOI: 10.1021/np070650h, "Pittosporumxanthins, Cycloaddition Products of Carotenoids with α-Tocopherol from Seeds of Pittosporum tobira".
  • CAS
    174390-03-5
    Links to other DB

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