Carotenoids obi
All carotenoids     All organisms   Feedback
Carotenoids DB          Carotenoids DB: CA00046   
[   About  |   Help  |   Search carotenoid entry  |   Search organism entry  |   Search similar carotenoids  |   Predict biological activities of this carotenoid  |   Search possible pathways   ]
Entry
CA00046                                                            

Classification
Carotenoid Name
1,2-Dihydrolycopene
IUPAC name 1,2-Dihydro-psi,psi-carotene
Formula
C40H58
Molecular Weight 
538.864 g/mol
Structure   
Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
  • Present in light harvesting complexes of photosynthetic bacteria Rhodopseudomonas viridis (Ref.462).
  • Number of
    conjugated double bonds 
    11
    Number of
    conjugated multiple bonds 
    11
    Isomers 
  • Constitutional isomer: CA00047, CA00193, CA00194, CA00299, CA00306, CA00317, CA00313
  • InChI
    InChI=1S/C40H58/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,15-19,21-22,25-32,34H,13-14,20,23-24H2,1-10H3/b12-11+,25-15+,26-16+,31-17+,32-18+,35-21+,36-22+,37-27+,38-28+,39-29+,40-30+
    InChIKey
    AQUGAIXUCCPEFP-GYZMGTAESA-N
    Canonical SMILES
    CC(CCC/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)C
    XLogP
    15.443
    Hydrogen Bond donors
    (Lipinski's definition)
    0
    Hydrogen Bond Acceptors
    (Lipinski's definition)
    0
    LipinskiFailures
    2
    Complexity of molecule
    0.000
    Number of heavy atoms
    40
    TPSA
    (Topological Polar Surface Area) 
    0.000 Å2
    Source organisms
    Rhodopseudomonas viridis (Ref.193, Ref.212) - Alphaproteobacteria: phototrophic purple non-sulfur bacteria
    References
  • Ref.193 : Malhotra, H. C.; Britton, G.; Goodwin, T. W., Journal of the Chemical Society [Section] D: Chemical Communications (1970), (2), 127-8., "Occurrence of 1,​2-​dihydro-​carotenoids in Rhodopseudomonas viridis".
  • Ref.212 : Malhotra, H. C.; Britton, Geoffrey; Goodwin, Trevor W., Internationale Zeitschrift fuer Vitaminforschung (1970), 40(3), 315-22. "Novel series of 1,2-dihydrocarotenoids".
  • Ref.462 : GERHART DREWS, MICROBIOLOGICAL REVIEWS, Mar. 1985, p. 59-70 , "Structure and Functional Organization of Light-Harvesting Complexes and Photochemical Reaction Centers in Membranes of Phototrophic Bacteria".
  • CAS
    31010-36-3, 27299-56-5
    Links to other DB
    KNApSAcK: C00022824
    LipidBank: VCA1137
    ProCarDB: C0080

       Search other references with Google Scholar