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Entry
CA00349                                                            

Classification
Carotenoid Name
Mimulaxanthin
IUPAC name (3S,5R,6R,3'S,5'R,6'R)-6,7,6',7'-Tetradehydro-5,6,5',6'-tetrahydro-beta,beta-carotene-3,5,3',5'-tetrol
Formula
C40H56O4
Molecular Weight 
600.848 g/mol
Structure      Search similar carotenoids

Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
Number of
conjugated double bonds 
9
Number of
conjugated multiple bonds 
9
Isomers 
InChI

InChIKey

Canonical SMILES

XLogP
11.674
Hydrogen Bond donors
(Lipinski's definition)
4
Hydrogen Bond Acceptors
(Lipinski's definition)
4
LipinskiFailures
1
Complexity of molecule
0.300
Number of heavy atoms
44
TPSA
(Topological Polar Surface Area) 
80.920 Å2
Reaction
  • Product: CR00402
  • Pathway
    Major carotenoid information

    Minor carotenoid information

    Source organisms
    Mimulus guttatus (Ref.257) - Land plant: monkeyflower (Streptophyta - Phrymaceae)
    References
  • Ref.257: Helfried Nitsche, Phytochemistry, Volume 11, Issue 1, January 1972, Pages 401–404, "Mimulaxanthin—a new allenic xanthophyll from the petals of Mimulus guttatus".
  • Ref.258: Richard Buchecker andConrad Hans Eugster, Helvetica Chimica Acta, Volume 63, Issue 8, pages 2531–2537, 10 December 1980, "Mimulaxanthin, Hauptcarotinoid von Lamium montanum, und seine absolute Konfiguration; konfigurative Verknüpfung von Deepoxyneoxanthin mit Neoxanthin".
  • CAS
    35804-89-8
    Links to other DB
    KNApSAcK: C00022929

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