Structure Database (LMSD)

Common Name
Neopellitorine B
Systematic Name
1-[(2E,4E)-2,4-decadienoyl]piperidine
Synonyms
  • Achilleamide
  • Iyeremide B
LM ID
LMFA08020418
Formula
C15H25NO
Exact Mass
Calculate m/z
235.193614
Sum Composition
NA 15:3
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]
Fatty Acids and Conjugates [FA01]
Unsaturated fatty acids [FA0103]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Artemisia dracunculus (#72341)
Magnoliopsida (#3398)
Alkamides from Artemisia dracunculus.,
Phytochemistry, 2001
Pubmed ID: 11730872

String Representations

InChiKey (Click to copy)
ZPSGREUUQGTKDE-ZICOIJLXSA-N
InChi (Click to copy)
InChI=1S/C15H25NO/c1-2-3-4-5-6-7-9-12-15(17)16-13-10-8-11-14-16/h6-7,9,12H,2-5,8,10-11,13-14H2,1H3/b7-6+,12-9+
SMILES (Click to copy)
C(/C=C/C=C/CCCCC)(=O)N1CCCCC1

Other Databases

PubChem CID
11118018

Calculated Physicochemical Properties

Heavy Atoms 17
Rings 1
Aromatic Rings
Rotatable Bonds 6
Van der Waals Molecular Volume 267.57
Topological Polar Surface Area 20.31
Hydrogen Bond Donors
Hydrogen Bond Acceptors 2
logP 4.26
Molar Refractivity 73.83

Admin

Created at
15th Feb 2024
Updated at
15th Feb 2024