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Carotenoids DB          Carotenoids DB: CA00899   
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Entry
CA00899                                                            
Classification
Carotenoid Name
(all-E)-Methylbixin
IUPAC name Dimethyl 6,6'-diapocarotene-6,6'-dioate
Formula
C26H32O4
Molecular Weight 
408.516 g/mol
Structure      Search similar carotenoids

Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
Number of
conjugated double bonds 
11 including two carboxylic acid methyl esters (11 in total)
Number of
conjugated multiple bonds 
11 including two carboxylic acid methyl esters (11 in total)
Isomers 
  • Cis/trans isomer: CA00895
    • InChI

    InChIKey

    Canonical SMILES

    XLogP
    6.924
    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
    30
    TPSA
    (Topological Polar Surface Area) 
    52.600 Å2
    Reaction
    Pathway
    Major carotenoid information

    Minor carotenoid information

    Source organisms
    Bixa orellana (Ref.142) - Land plant: Bixaceae (Streptophyta - Bixaceae)
    Thermal degraded product (Ref.142) - Thermal degraded product (Unclassified non-living matter - Unclassified non-living matter)
    References
  • Ref.142: Bahl, C. P.; Seshadri, Tiruvenkata R.; Vedantham, T. N. C., Current Science (1971), 40(2), 27-8., "Preparation of bixin and methylbixin from Indian seeds of Bixa orellana".
    • CAS
    5798-56-1
    Links to other DB
    LipidBank: VCA1129

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