Carotenoids obi
All carotenoids     All organisms     All pathways     All reactions     Feedback
Carotenoids DB          Carotenoids DB: CA00897   
[   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
CA00897                                                            
Classification
Carotenoid Name
IUPAC name 6-Geranylgeranyl 8'-methyl 6,8'-diapocarotene-6,8'-dioate
Formula
C43H60O4
Molecular Weight 
640.91 g/mol
Structure      Search similar carotenoids

Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
Number of
conjugated double bonds 
9 and 2 including one carboxylic acid methyl ester and one ester (11 in total)
Number of
conjugated multiple bonds 
9 and 2 including one carboxylic acid methyl ester and one ester (11 in total)
Isomers 
  • Constitutional isomer: CA00274
    • InChI

    InChIKey

    Canonical SMILES

    XLogP
    12.686
    Hydrogen Bond donors
    (Lipinski's definition)
    0
    Hydrogen Bond Acceptors
    (Lipinski's definition)
    4
    LipinskiFailures
    2
    Complexity of molecule
    0.000
    Number of heavy atoms
    47
    TPSA
    (Topological Polar Surface Area) 
    52.600 Å2
    Reaction
    Pathway
    Major carotenoid information

    Minor carotenoid information

    Source organisms
    Bixa orellana (Ref.143) - Land plant: Bixaceae (Streptophyta - Bixaceae)
    References
  • Ref.143: Mercadante, A. Z.; Steck, A.; Pfander, H., Phytochemistry (1999), 52(1), 135-139., "Three minor carotenoids from annatto (Bixa orellana) seeds".
    • CAS
    247030-33-7
    Links to other DB
    KNApSAcK: C00023150

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