Structure Database (LMSD)
Common Name
S-cucujolide III
Systematic Name
5Z-Tetradecen-13S-olide
Synonyms
3D model of S-cucujolide III
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
References
Comments
Pherobase Semiochemicals
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Cryptolestes pusillus
(#1173686)
Insecta
(#50557)
Chirality of macrolide pheromones of grain beetles in the generaOryzaephilusandCryptolestes and its implications for species specificity.,
J Chem Ecol, 1987
J Chem Ecol, 1987
Pubmed ID:
24302251
String Representations
InChiKey (Click to copy)
UNYFVMZKRMXDRF-AGLBCWCQSA-N
InChi (Click to copy)
InChI=1S/C14H24O2/c1-13-11-9-7-5-3-2-4-6-8-10-12-14(15)16-13/h4,6,13H,2-3,5,7-12H2,1H3/b6-4-/t13-/m0/s1
SMILES (Click to copy)
C1(O[C@@H](C)CCCCCCC=CCCC1)=O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
16
Rings
1
Aromatic Rings
0
Rotatable Bonds
0
Van der Waals Molecular Volume
250.70
Topological Polar Surface Area
28.37
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
4.29
Molar Refractivity
66.76
Admin
Created at
-
Updated at
9th Apr 2025