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Entry
CA00269                                                            

Classification
Carotenoid Name
K-G;
1'-Hydroxy-4-keto-γ-carotene glucoside;
1'-OH-4-Keto-γ-carotene glucoside;
1'-Hydroxy-4-keto-gamma-carotene glucoside;
1'-OH-4-Keto-gamma-carotene glucoside
IUPAC name 1'-(beta-D-Glucopyranosyloxy)-1',2'-dihydro-beta,psi-caroten-4-one
Formula
C46H66O7
Molecular Weight 
730.988 g/mol
Structure      Search similar carotenoids

Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
Number of
conjugated double bonds 
12 includingone ketone (12 in total)
Number of
conjugated multiple bonds 
12 includingone ketone (12 in total)
Isomers 
  • Constitutional isomer: CA00103, CA00946, CA00230, CA00961, CA00212, CA00240, CA00211, CA00561
  • InChI

    InChIKey

    Canonical SMILES

    XLogP
    10.471
    Hydrogen Bond donors
    (Lipinski's definition)
    4
    Hydrogen Bond Acceptors
    (Lipinski's definition)
    7
    LipinskiFailures
    2
    Complexity of molecule
    0.311
    Number of heavy atoms
    53
    TPSA
    (Topological Polar Surface Area) 
    116.450 Å2
    Reaction
    Pathway
    Major carotenoid information

    Minor carotenoid information

    Source organisms
    Rhodococcus rhodochrous RNMS1 (Ref.217) - Actinobacteria (Actinobacteria - Nocardiaceae)
    References
  • Ref.217: Takaichi, Shinichi; Ishidsu, Junichi; Seki, Toshinori; Fukada, Shigeo, Agricultural and Biological Chemistry (1990), 54(8), 1931-7., "Carotenoid pigments from Rhodococcus rhodochrous RNMS1: two monocyclic carotenoids, a carotenoid monoglycoside and carotenoid glycoside monoesters".
  • CAS
    130137-24-5
    Links to other DB
    KNApSAcK: C00022994
    LipidBank: VCA1091

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