Structure Database (LMSD)

Common Name
Spilanthol
Systematic Name
N-Isobutyl-2E,6Z,8E-decatrienamide
Synonyms
  • Affinin
LM ID
LMFA08020407
Formula
C14H23NO
Exact Mass
Calculate m/z
221.177964
Sum Composition
NA 14:3
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty amides [FA08]
N-acyl amines [FA0802]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Blainvillea acmella (#1205696)
Magnoliopsida (#3398)
Pungent Alkamides from Spilanthes acmella L. var. oleracea Clarke.,
Biosci Biotechnol Biochem, 1992
Pubmed ID: 27286203

String Representations

InChiKey (Click to copy)
BXOCHUWSGYYSFW-HVWOQQCMSA-N
InChi (Click to copy)
InChI=1S/C14H23NO/c1-4-5-6-7-8-9-10-11-14(16)15-12-13(2)3/h4-7,10-11,13H,8-9,12H2,1-3H3,(H,15,16)/b5-4+,7-6-,11-10+
SMILES (Click to copy)
C(/C=C/CC/C=C\C=C\C)(=O)NCC(C)C

Other Databases

PubChem CID
5353001

Calculated Physicochemical Properties

Heavy Atoms 16
Rings
Aromatic Rings
Rotatable Bonds 7
Van der Waals Molecular Volume 259.99
Topological Polar Surface Area 29.10
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 3.51
Molar Refractivity 70.67

Admin

Created at
7th Nov 2022
Updated at
7th Nov 2022