Structure Database (LMSD)

Common Name
Rehmagluamide
Systematic Name
N-2-methyl-6-oxo-2E,4E-heptadienoyl-ethanolamine
Synonyms
  • (2E,4E)-N-(2-hydroxyethyl)-2-methyl-6-oxohepta-2,4-dienamide
LM ID
LMFA08040070
Formula
C10H15NO3
Exact Mass
Calculate m/z
197.105194
Sum Composition
NAE 8:3;O
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty amides [FA08]
N-acyl ethanolamines (endocannabinoids) [FA0804]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Rehmannia glutinosa (#99300)
Magnoliopsida (#3398)
Renoprotective activity of a new amide and a new hydroxycinnamic acid derivative from the fresh roots of Rehmannia glutinosa.,
J Asian Nat Prod Res, 2021
Pubmed ID: 33844616

String Representations

InChiKey (Click to copy)
WQCAJGYNYVBEIO-MSLMYCKWSA-N
InChi (Click to copy)
InChI=1S/C10H15NO3/c1-8(4-3-5-9(2)13)10(14)11-6-7-12/h3-5,12H,6-7H2,1-2H3,(H,11,14)/b5-3+,8-4+
SMILES (Click to copy)
C(/C(/C)=C/C=C/C(=O)C)(=O)NCCO

Other Databases

PubChem CID
171121049

Calculated Physicochemical Properties

Heavy Atoms 14
Rings 0
Aromatic Rings 0
Rotatable Bonds 5
Van der Waals Molecular Volume 208.37
Topological Polar Surface Area 66.40
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 4
logP 0.76
Molar Refractivity 54.65

Admin

Created at
14th Apr 2021
Updated at
14th Apr 2021