Carotenoids obi
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Entry
CA01155                                                            
Classification
Carotenoid Name
Orobanchol;
strigolactone
IUPAC name (3E,3aS,4S,8bS)-4-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
1.800
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
Pathway
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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