ARCTIGENIN

Structure

2D structure of ARCTIGENIN
2D structure
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3D model

Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 10014817

Names and identifiers

Name

ARCTIGENIN

IUPAC name

1-(5'-(prop-1-yn-1-yl)-[2,2'-bithiophen]-5-yl)ethan-1-one

SMILES

CC#CC1=CC=C(S1)C2=CC=C(S2)C(=O)C

General information

Molecular formula

C13H10OS2

Molecular weight

246.36 g/mol

Monoisotopic mass

246.0173 Da

Classification

Pathway:
Superclass:
Class:
Glycoside:
No

Chemical classification: NPClassifier (Kim et al., 2021)

Plants with the compound

Plant Plant part Amount Reference
Arctium lappa L. - -
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.
Arctium lappa L. fruit -
Jim Duke's personal files.
Arctium lappa L. seed 166-167 ppm
Jim Duke's personal files.