Structure Database (LMSD)
Systematic Name
N-isobutyl-2E,4E,12Z-tetradecatrien-8,10-diynamide
Synonyms
3D model of
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
GUJXDSIRNUISDE-GQKSZZGGSA-N
InChi (Click to copy)
InChI=1S/C18H23NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-18(20)19-16-17(2)3/h4-5,12-15,17H,10-11,16H2,1-3H3,(H,19,20)/b5-4-,13-12+,15-14+
SMILES (Click to copy)
C(/C=C/C=C/CCC#CC#C/C=C\C)(=O)NCC(C)C
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Chrysanthemum x morifolium
(#41568)
Magnoliopsida
(#3398)
Isobutylamides of unsaturated fatty acids from Chrysanthemum morifolium associated with host-plant resistance against the western flower thrips.,
J Nat Prod, 2003
J Nat Prod, 2003
Pubmed ID:
14510603
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
20
Rings
Aromatic Rings
Rotatable Bonds
6
Van der Waals Molecular Volume
318.63
Topological Polar Surface Area
29.10
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
3.52
Molar Refractivity
86.22
Admin
Created at
21st Jul 2021
Updated at
21st Jul 2021