3-(dimethylamino)-1-(3,4,5-trimethoxyphenyl)propan-1-one, also known as 1'-oxoelemicin-DMA, is the dimethylamine alkaloid metabolite of elemicin created in vivo.[1] It's an adduct of 1'-oxoelemicin and dimethylamine.

Chemical Properties

Synonyms: 1'-oxoelemicin-DMA; 1'-oxoelemicin-dimethylamine; 1'-ketoelemicin-DMA; 1'-ketoelemicin-dimethylamine;
PubChem Compound ID: 412306
Molecular Weight: 267.32084 [g/mol]
Molecular Formula: C14H21NO4
XLogP3-AA: 1.5
H-Bond Donor: 0
H-Bond Acceptor: 5
InChI: InChI=1S/C14H21NO4/c1-15(2)7-6-11(16)10-8-12(17-3)14(19-5)13(9-10)18-4/h8-9H,6-7H2,1-5H3
Canonical SMILES: CN(C)CCC(=O)C1=CC(=C(C(=C1)OC)OC)OC

See Also

1. E.O. Oswald, L. Fishbein, B.J. Corbett, M.P. Walker. Metabolism of naturally occuring propenylbenzene derivatives : II. Separation and identification of tertiary aminopropiophenones by combines gas—liquid chromatography and chemical ionization mass spectrometry. Journal of Chromatography A, Volume 73, Issue 1, 8 November 1972, Pages 43-57 (web link)
PubMed PMID 5081654 (Download Attached PDF Document)
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