Structure Database (LMSD)

Common Name
Cucujolide IX
Systematic Name
3Z,6Z-Dodecadien-12-olide
Synonyms
LM ID
LMFA07040037
Status
Active
Exact Mass
Calculate m/z
194.13068
Formula
C12H18O2
Abbrev
FA 12:3
Show lipids differing only in stereochemistry/bond geometry
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MDLMOL SDF CSV TSV
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Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty esters [FA07]
Lactones [FA0704]
Fatty Acids and Conjugates [FA01]
Unsaturated fatty acids [FA0103]
Carbocyclic fatty acids [FA0114]

String Representations

InChiKey (Click to copy)
IDCDKEUBOYQTFY-NGNAIVRQSA-N
InChi (Click to copy)
InChI=1S/C12H18O2/c13-12-10-8-6-4-2-1-3-5-7-9-11-14-12/h1-2,6,8H,3-5,7,9-11H2/b2-1-,8-6-
SMILES (Click to copy)
C1(OCCCCCC=CCC=CC1)=O

References

Comments
Pherobase Semiochemicals

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Oryzaephilus surinamensis (#41112)
Insecta (#50557)
RETURN TO ISSUEPREVARTICLENEXT Macrolide aggregation pheromones in Oryzaephilus surinamensis and O. mercator (Coleoptera:Cucujidae),
J Agric Food Chem, 1985

Other Databases

CHEBI ID
137708
PubChem CID
10976366

Calculated Physicochemical Properties

Heavy Atoms 14
Rings 1
Aromatic Rings 0
Rotatable Bonds 0
Van der Waals Molecular Volume 213.46
Topological Polar Surface Area 28.37
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 3.28
Molar Refractivity 57.43

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Created at
-
Updated at
5th Apr 2022