Structure Database (LMSD)

Common Name
Tulipiferamide B
Systematic Name
N-(2-phenylethyl)-2Z,4E-decadienamide
Synonyms
  • deca-(2Z,4E)-dienoic acid 2-phenylethylamide
LM ID
LMFA08020329
Formula
C18H25NO
Exact Mass
Calculate m/z
271.193614
Sum Composition
NA 18:6
Status
Curated
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
Liriodendron tulipifera (#3415)
Magnoliopsida (#3398)
Tulipiferamide A, an Alkamide from Liriodendron tulipifera, Exhibits an Anti-Inflammatory Effect via Targeting IKKbeta Phosphorylation,
J Nat Prod . 2021, 2021
Pubmed ID: 33939429

String Representations

InChiKey (Click to copy)
JDDRCLDJHAZTTI-SAVKCZEGSA-N
InChi (Click to copy)
InChI=1S/C18H25NO/c1-2-3-4-5-6-7-11-14-18(20)19-16-15-17-12-9-8-10-13-17/h6-14H,2-5,15-16H2,1H3,(H,19,20)/b7-6+,14-11-
SMILES (Click to copy)
N(C(/C=C\C=C\CCCCC)=O)CCC1=CC=CC=C1

Other Databases

PubChem CID
164613336

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 1
Aromatic Rings 1
Rotatable Bonds 9
Van der Waals Molecular Volume 300.65
Topological Polar Surface Area 29.10
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 4.32
Molar Refractivity 86.07

Admin

Created at
4th May 2021
Updated at
4th May 2021