Carotenoids obi
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Carotenoids DB          Carotenoids DB: CA01152   
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Entry
CA01152                                                            

Classification
Carotenoid Name
Strigol;
strigolactone
IUPAC name (3E,3aR,5S,8bS)-5-hydroxy-8,8-dimethyl-3-[[(2R)-4-methyl-5-oxo-2H-furan-2-yl]oxymethylidene]-3a,4,5,6,7,8b-hexahydroindeno[1,2-b]furan-2-one
Formula
C19H22O6
Molecular Weight 
346.366 g/mol
Structure      Search similar carotenoids

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

InChIKey

Canonical SMILES

XLogP
1.378
Hydrogen Bond donors
(Lipinski's definition)
1
Hydrogen Bond Acceptors
(Lipinski's definition)
6
LipinskiFailures
0
Complexity of molecule
0.404
Number of heavy atoms
25
TPSA
(Topological Polar Surface Area) 
82.060 Å2
Reaction
  • Product: CR00110,  CR00428
  • Pathway
  • Pathway: CB000085,  CB000129
  • Major carotenoid information

    Minor carotenoid information

    Source organisms
    Arbuscular mycorrhizal (Ref.594) - Fungi: mycorrhizal fungus (Mucoromycota - Glomeraceae)
    References
  • Ref.594: Kohki AKIYAMA, Bioscience, Biotechnology, and Biochemistry, 71:6, 1405-1414, DOI: 10.1271/bbb.70023, "Chemical Identification and Functional Analysis of Apocarotenoids Involved in the Development of Arbuscular Mycorrhizal Symbiosis".
  • CAS

    Links to other DB

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