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Entry
CA00930                                                            
Classification
Carotenoid Name
C.p.460
IUPAC name (2R,2'R)-2-(4-Hydroxy-3-methylbut-2-enyl)-2'-(3-methylbut-2-enyl)-1',2'-dihydro-beta,psi-caroten-1'-ol
Formula
C50H74O2
Molecular Weight 
707.092 g/mol
Structure      Search similar carotenoids

Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
Number of
conjugated double bonds 
11
Number of
conjugated multiple bonds 
11
Isomers 
  • Constitutional isomer: CA00969, CA01194, CA00940
    • InChI

    InChIKey

    Canonical SMILES

    XLogP
    15.192
    Hydrogen Bond donors
    (Lipinski's definition)
    2
    Hydrogen Bond Acceptors
    (Lipinski's definition)
    2
    LipinskiFailures
    2
    Complexity of molecule
    0.048
    Number of heavy atoms
    52
    TPSA
    (Topological Polar Surface Area) 
    40.460 Å2
    Reaction
    Pathway
    Major carotenoid information

    Minor carotenoid information

    Source organisms
    Curtobacterium flaccumfaciens poinsettiae (Ref.224) - Actinobacteria (Actinobacteria - Microbacteriaceae)
    References
  • Ref.224: Haberli, Adrian; Bircher, Christof; Pfander, Hanspeter, Helvetica Chimica Acta (2000), 83(2), 328-335., "Isolation of a new carotenoid and two new carotenoid glycosides from Curtobacterium flaccumfaciens pvar poinsettiae".
    • CAS
    267008-23-1
    Links to other DB
    KNApSAcK: C00023085

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