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Carotenoids DB          Carotenoids DB: CA01160   
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Entry
CA01160                                                            
Classification
Carotenoid Name
Carlactonoic acid;
CLA
IUPAC name (E,2Z)-6,6-dimethyl-2-[(4-methyl-5-oxo-2H-furan-2-yl)oxymethylidene]-5-propan-2-ylideneoct-3-enoic acid;
10-apo-beta-caroten-19-oic acid-10-(hydroxy-methyl-furanone) (defined by Carotenoids DB)
Formula
C19H24O5
Molecular Weight 
316.382 g/mol
Structure      Search similar carotenoids

Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
Number of
conjugated double bonds 
4 including one carboxylic acid and 2 including one ketone (6 in total)
Number of
conjugated multiple bonds 
4 including one carboxylic acid and 2 including one ketone (6 in total)
Isomers 
InChI

InChIKey

Canonical SMILES

XLogP
4.535
Hydrogen Bond donors
(Lipinski's definition)
1
Hydrogen Bond Acceptors
(Lipinski's definition)
5
LipinskiFailures
0
Complexity of molecule
0.333
Number of heavy atoms
24
TPSA
(Topological Polar Surface Area) 
72.830 Å2
Reaction
  • Substrate: CR00325,  CR00363
  • Product: CR00218
    • Pathway
    Major carotenoid information

    Minor carotenoid information

    Source organisms
    Arabidopsis sp. (Ref.619) -  (Streptophyta - Brassicaceae)
    References
  • Ref.619: Abe S., Sado A., Tanaka K., Kisugi T., Asami K., Ota S., Kim H. II., Yoneyama K., Xiaonan Xie, Ohnishi T., Seto Y., Yamaguchi S., Akiyama K., Yoneyama K., Nomura T. (2014), Carlactone is converted to carlactonoic acid by MAX1 in Arabidopsis and its methyl ester can directly interact with AtD14 in vitro, PNAS, December 16, 2014, vol. 111, no. 50, pp.18084–18089, www.pnas.org/cgi/doi/10.1073/pnas.1410801111.
    • CAS

    Links to other DB

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