Structure Database (LMSD)
Common Name
Nonivamide
Systematic Name
N-vanillyl-nonamide
Synonyms
- pelargonic acid vanillylamide
- PAVA
LM ID
LMFA08020317
Formula
Exact Mass
Calculate m/z
293.199094
Sum Composition
Status
Active
No other lipid differing only in stereochemistry/bond geometry found
3D model of Nonivamide
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Capsicum
(#4071)
Magnoliopsida
(#3398)
Nonivamide, a Constituent of Capsicum oleoresin,
J. Nat. Prod., 1996
J. Nat. Prod., 1996
DOI:
10.1021/np9600816
String Representations
InChiKey (Click to copy)
RGOVYLWUIBMPGK-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C17H27NO3/c1-3-4-5-6-7-8-9-17(20)18-13-14-10-11-15(19)16(12-14)21-2/h10-12,19H,3-9,13H2,1-2H3,(H,18,20)
SMILES (Click to copy)
C1=CC(CNC(=O)CCCCCCCC)=CC(OC)=C1O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
21
Rings
1
Aromatic Rings
1
Rotatable Bonds
10
Van der Waals Molecular Volume
306.21
Topological Polar Surface Area
58.56
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
4
logP
3.77
Molar Refractivity
84.50
Admin
Created at
15th Apr 2021
Updated at
15th Apr 2021