Structure Database (LMSD)
Common Name
Iridomyrmecin
Systematic Name
Synonyms
3D model of Iridomyrmecin
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
Level 4 Class
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Linepithema humile
(#83485)
Insecta
(#50557)
The chemistry of ants. I. Terpenoid constituents of some Australian Iridomyrmex species,
Aus J Chem, 1956
Aus J Chem, 1956
DOI:
10.1071/CH9560288
Nepeta cataria
(#39347)
Magnoliopsida
(#3398)
The exact nature of matatabilactone and the terpenes of nepeta cataria,
Tetrahedron Letts, 1965
Tetrahedron Letts, 1965
String Representations
InChiKey (Click to copy)
LYEFRAMOOLOUKA-RBXMUDONSA-N
InChi (Click to copy)
InChI=1S/C10H16O2/c1-6-3-4-8-7(2)10(11)12-5-9(6)8/h6-9H,3-5H2,1-2H3/t6-,7-,8+,9+/m0/s1
SMILES (Click to copy)
[C@@]12([H])[C@@H](C)CC[C@]1([H])[C@H](C)C(=O)OC2
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
12
Rings
2
Aromatic Rings
0
Rotatable Bonds
0
Van der Waals Molecular Volume
171.78
Topological Polar Surface Area
28.37
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
2.13
Molar Refractivity
45.99
Admin
Created at
18th Jul 2023
Updated at
18th Jul 2023