Carotenoids obi
All carotenoids     All organisms   Feedback
Carotenoids DB          Carotenoids DB: CA00313   
[   About  |   Help  |   Search carotenoid entry  |   Search organism entry  |   Search similar carotenoids  |   Predict biological activities of this carotenoid  |   Search possible pathways   ]
Entry
CA00313                                                            

Classification
Carotenoid Name
Dihydro-β-carotene;
Dihydro-beta-carotene
IUPAC name 7,8-Dihydro-beta,beta-carotene
Formula
C40H58
Molecular Weight 
538.864 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: CA00046, CA00047, CA00193, CA00194, CA00299, CA00306
  • InChI
    InChI=1S/C40H58/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-22,25,27H,15-16,23-24,26,28-30H2,1-10H3/b12-11+,19-13+,20-14+,27-25+,31-17+,32-18+,33-21+,34-22+
    InChIKey
    ZWHNFQQCBBBUHX-RQJQFHIYSA-N
    Canonical SMILES
    C/C(=C\C=C\C=C(\C=C\C=C(\C=C\C1=C(C)CCCC1(C)C)/C)/C)/C=C/C=C(/CCC1=C(C)CCCC1(C)C)\C
    XLogP
    14.446
    Hydrogen Bond donors
    (Lipinski's definition)
    0
    Hydrogen Bond Acceptors
    (Lipinski's definition)
    0
    LipinskiFailures
    2
    Complexity of molecule
    0.306
    Number of heavy atoms
    40
    TPSA
    (Topological Polar Surface Area) 
    0.000 Å2
    Source organisms

    References

    CAS
    58218-99-8
    Links to other DB
    KEGG COMPOUND: C16291
    KNApSAcK: C00023214
    LipidBank: VCA1009

       Search other references with Google Scholar