Carotenoids obi
All carotenoids     All organisms     All pathways     All reactions     Feedback
Carotenoids DB          Carotenoids DB: CA00087   
[   About  |   Help  |   Search carotenoid entry  |   Search organism entry  |   Search similar carotenoids  |   Predict biological activities of this carotenoid  |   Search possible biosynthetic routes of this carotenoid   ]
Entry
CA00087                                                            
Classification
Carotenoid Name
11',12'-Dihydrospheroidene
IUPAC name 1-Methoxy-3,4-didehydro-1,2,7',8',11',12'-hexahydro-psi,psi-carotene
Formula
C41H62O
Molecular Weight 
570.906 g/mol
Structure      Search similar carotenoids

Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
Number of
conjugated double bonds 
8
Number of
conjugated multiple bonds 
8
Isomers 
  • Constitutional isomer: CA00086
    • InChI

    InChIKey

    Canonical SMILES

    XLogP
    13.967
    Hydrogen Bond donors
    (Lipinski's definition)
    0
    Hydrogen Bond Acceptors
    (Lipinski's definition)
    1
    LipinskiFailures
    2
    Complexity of molecule
    0.000
    Number of heavy atoms
    42
    TPSA
    (Topological Polar Surface Area) 
    9.230 Å2
    Reaction
    Pathway
    Major carotenoid information

    Minor carotenoid information

    Source organisms
    Rhodospirillum rubrum (Ref.207, Ref.337) - Alphaproteobacteria: phototrophic purple non-sulfur bacteria (Alphaproteobacteria - Rhodospirillaceae)
    References
  • Ref.207: B. H. Davies, E. Ann Holmes, D. E. Loeber, T. P. Toube, and B. C. L. Weedon, J. Chem. Soc. C, 1969, 1266-1268, DOI: 10.1039/J39690001266, "Carotenoids and related compounds. Part XXIII. Occurrence of 7,8,11,12-tetrahydrolycopene, spheroidene, 3,4,11',12'-tetrahydrospheroidene, and 11',12'-dihydrospheroidene in Rhodospirillum rubrum".
  • Ref.337: H.C. Malhotra, G. Britton, T.W. Goodwin, Phytochemistry, Volume 9, Issue 11, November 1970, Pages 2369–2375, "The mono- and dimethoxy-carotenoids of diphenylamine-inhibited cultures of rhodospirillum rubrum".
    • CAS
    22076-59-1
    Links to other DB
    KNApSAcK: C00022856

       Searching other references with Google Scholar or searching the colour of this carotenoid by Google image search