LIPID MAPS

Structure Database (LMSD)

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Systematic Name

Deca-2E,4E-dienoic acid 4-hydroxy-2-phenylethylamide

Synonyms

LM ID

LMFA08020369

Formula

C₁₈H₂₅NO₂

Exact Mass

Calculate m/z

287.188529

Sum Composition

NA 18:6;O

Status

Curated

Show lipids differing only in stereochemistry/bond geometry

View NP-MRD ID(NMR) spectrum

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Anacyclus pyrethrum (#159698)

Magnoliopsida (#3398)

Alkamides from Anacyclus pyrethrum L. and Their in Vitro Antiprotozoal Activity.,
Molecules, 2017

Pubmed ID: 28498323

DOI: 10.3390/molecules22050796

String Representations

InChiKey (Click to copy)

LNWXDGQUTGHICD-BLHCBFLLSA-N

InChi (Click to copy)

InChI=1S/C18H25NO2/c1-2-3-4-5-6-7-8-9-18(21)19-15-14-16-10-12-17(20)13-11-16/h6-13,20H,2-5,14-15H2,1H3,(H,19,21)/b7-6+,9-8+

SMILES (Click to copy)

C(/C=C/C=C/CCCCC)(=O)NCCC1=CC=C(O)C=C1

Other Databases

PubChem CID

14427415

Calculated Physicochemical Properties

Heavy Atoms 21

Rings 1

Aromatic Rings 1

Rotatable Bonds 9

Van der Waals Molecular Volume 309.44

Topological Polar Surface Area 49.33

Hydrogen Bond Donors 2

Hydrogen Bond Acceptors 3

logP 4.03

Molar Refractivity 87.73

Admin

Created at

25th Oct 2021

Updated at