Carotenoids obi
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Entry
CA00812                                                            
Classification
Carotenoid Name
Apo-10'-β-carotenol;
Apo-10'-beta-carotenol
IUPAC name 10'-Apo-beta-caroten-10'-ol
Formula
C27H38O
Molecular Weight 
378.574 g/mol
Structure      Search similar carotenoids

Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
Number of
conjugated double bonds 
8
Number of
conjugated multiple bonds 
8
Isomers 
  • Constitutional isomer: CA00788
    • InChI

    InChIKey

    Canonical SMILES

    XLogP
    8.632
    Hydrogen Bond donors
    (Lipinski's definition)
    1
    Hydrogen Bond Acceptors
    (Lipinski's definition)
    1
    LipinskiFailures
    1
    Complexity of molecule
    0.091
    Number of heavy atoms
    28
    TPSA
    (Topological Polar Surface Area) 
    20.230 Å2
    Reaction
    Pathway
  • Pathway: CB000127,  CB000128
    • Major carotenoid information

    Minor carotenoid information

    Source organisms
    Rosa foetida (Ref.235) - Land plant: Rosaceae: rose petal (Streptophyta - Rosaceae)
    Mammea americana (Ref.567) - Land plant: mammee-apple, mamey, native Amazonian fruits (Streptophyta - Calophyllaceae)
    References
  • Ref.235: Maerki-Fischer, Edith; Eugster, Conrad Hans, Helvetica Chimica Acta (1987), 70(8), 1988-93., "Isolierung von 10'-Apo-β-carotin-10'-ol und (3R)-10'-Apo-β-carotin-3,10'-diol (Galloxanthin) aus Rosenblüten. 5. Mitteilung über Rosenfarbstoffe".
  • Ref.567: Veridiana V. de Rosso and Adriana Z. Mercadante, J. Agric. Food Chem., 2007, 55 (13), pp 5062–5072, DOI: 10.1021/jf0705421, "Identification and Quantification of Carotenoids, By HPLC-PDA-MS/MS, from Amazonian Fruits".
    • CAS
    6541-42-0
    Links to other DB

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