Carotenoids obi
All carotenoids     All organisms   Feedback
Carotenoids DB          Carotenoids DB: CA00948   
[   About  |   Help  |   Search carotenoid entry  |   Search organism entry  |   Search similar carotenoids  |   Predict biological activities of this carotenoid  |   Search possible pathways   ]
Entry
CA00948                                                            

Classification
Carotenoid Name
Gazaniaxanthin;
(5'Z)-Rubixanthin
IUPAC name (3R,5'Z)-beta,psi-Caroten-3-ol
Formula
C40H56O
Molecular Weight 
552.848 g/mol
Structure   
Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
Number of
conjugated double bonds 
11
Number of
conjugated multiple bonds 
11
Isomers 
  • Cis/trans isomer: CA00198
  • InChI
    InChI=1S/C40H56O/c1-31(2)17-13-20-34(5)23-15-25-35(6)24-14-21-32(3)18-11-12-19-33(4)22-16-26-36(7)27-28-39-37(8)29-38(41)30-40(39,9)10/h11-12,14-19,21-28,38,41H,13,20,29-30H2,1-10H3/b12-11+,21-14+,22-16+,25-15+,28-27+,32-18+,33-19+,34-23-,35-24+,36-26+/t38-/m1/s1
    InChIKey
    ABTRFGSPYXCGMR-KRKGTFTGSA-N
    Canonical SMILES
    O[C@@H]1CC(=C(C(C1)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C=C(\CCC=C(C)C)/C)\C)\C)/C)/C)C
    XLogP
    12.575
    Hydrogen Bond donors
    (Lipinski's definition)
    1
    Hydrogen Bond Acceptors
    (Lipinski's definition)
    1
    LipinskiFailures
    2
    Complexity of molecule
    0.062
    Number of heavy atoms
    41
    TPSA
    (Topological Polar Surface Area) 
    20.230 Å2
    Source organisms
    Rosa mosqueta (Ref.198) - Land plant: Rosaceae: rose hips
    References
  • Ref.198 : Hornero-Mendez, D.; Minguez-Mosquera, M. I., Journal of Agricultural and Food Chemistry¬†(2000),¬†48(3),¬†825-828., "Carotenoid Pigments in Rosa mosqueta Hips, an Alternative Carotenoid Source for Foods".
  • CAS
    19603-65-7
    Links to other DB

       Search other references with Google Scholar