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Entry
CA00146                                                            

Classification
Carotenoid Name
Dihydroxyneurosporene;
OH-Chloroxanthin
IUPAC name 1,2,7,8,1',2'-Hexahydro-psi,psi-carotene-1,1'-diol
Formula
C40H62O2
Molecular Weight 
574.896 g/mol
Structure   
Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
Number of
conjugated double bonds 
9
Number of
conjugated multiple bonds 
9
Isomers 
  • Constitutional isomer: CA00251
  • InChI
    InChI=1S/C40H62O2/c1-33(21-13-23-35(3)25-15-27-37(5)29-17-31-39(7,8)41)19-11-12-20-34(2)22-14-24-36(4)26-16-28-38(6)30-18-32-40(9,10)42/h11-15,19-25,27-28,41-42H,16-18,26,29-32H2,1-10H3/b12-11+,21-13+,22-14+,25-15+,33-19+,34-20+,35-23+,36-24+,37-27+,38-28+
    InChIKey
    YBUVIHJIZVAODP-ZDVIUYNHSA-N
    Canonical SMILES
    C/C(=C\C=C\C=C(\C=C\C=C(\C=C\C=C(\CCCC(O)(C)C)/C)/C)/C)/C=C/C=C(/CC/C=C(/CCCC(O)(C)C)\C)\C
    XLogP
    12.412
    Hydrogen Bond donors
    (Lipinski's definition)
    2
    Hydrogen Bond Acceptors
    (Lipinski's definition)
    2
    LipinskiFailures
    2
    Complexity of molecule
    0.000
    Number of heavy atoms
    42
    TPSA
    (Topological Polar Surface Area) 
    40.460 Å2
    Source organisms

    References

    CAS

    Links to other DB
    LipidBank: VCA1130
    ProCarDB: C1938

       Search other references with Google Scholar