Carotenoids obi
All carotenoids     All organisms   Feedback
Carotenoids DB          Carotenoids DB: CA00235   
[   About  |   Help  |   Search carotenoid entry  |   Search organism entry  |   Search similar carotenoids  |   Predict biological activities of this carotenoid  |   Search possible pathways   ]
Entry
CA00235                                                            

Classification
Carotenoid Name
2-Hydroxy-monocyclophytophytofluene
IUPAC name 7,8,11,12,7',8'-Hexahydro-beta,psi-caroten-2-ol
Formula
C40H62O
Molecular Weight 
558.896 g/mol
Structure   
Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
Number of
conjugated double bonds 
5
Number of
conjugated multiple bonds 
5
Isomers 
  • Constitutional isomer: CA00130, CA00152, CA00131, CA00151, CA00236
  • InChI
    InChI=1S/C40H62O/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)27-29-38-37(8)28-30-39(41)40(38,9)10/h11-12,14,17-19,21,23-24,26,39,41H,13,15-16,20,22,25,27-30H2,1-10H3/b12-11+,21-14+,32-18+,33-19+,34-23+,35-24+,36-26+
    InChIKey
    NABWPAWPERZCNH-ZBVNFZSQSA-N
    Canonical SMILES
    C/C(=C\C=C\C=C(\CC/C=C(/CCC1=C(C)CCC(C1(C)C)O)\C)/C)/C=C/C=C(/CC/C=C(/CCC=C(C)C)\C)\C
    XLogP
    11.949
    Hydrogen Bond donors
    (Lipinski's definition)
    1
    Hydrogen Bond Acceptors
    (Lipinski's definition)
    1
    LipinskiFailures
    2
    Complexity of molecule
    0.058
    Number of heavy atoms
    41
    TPSA
    (Topological Polar Surface Area) 
    20.230 Å2
    Source organisms
    Rhodotorula aurantiaca  - Fungi: psychrophilic antarctic yeast
    References

    CAS
    -
    Links to other DB

       Search other references with Google Scholar