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Entry
CA00089                                                            
Classification
Carotenoid Name
3,4,11',12'-Tetrahydrospheroidene
IUPAC name 1-Methoxy-1,2,7',8',11',12'-hexahydro-psi,psi-carotene
Formula
C41H64O
Molecular Weight 
572.922 g/mol
Structure      Search similar carotenoids

Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
Number of
conjugated double bonds 
7
Number of
conjugated multiple bonds 
7
Isomers 
InChI

InChIKey

Canonical SMILES

XLogP
14.081
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
    24946-13-2
    Links to other DB
    KNApSAcK: C00022857

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