ARCTIGNAN-A
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Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 182071
Name
ARCTIGNAN-A
IUPAC name
5'-(prop-1-yn-1-yl)-[2,2'-bithiophene]-5-carboxylic acid
SMILES
CC#CC1=CC=C(S1)C2=CC=C(S2)C(=O)O
Molecular formula
C12H8O2S2
Molecular weight
248.33 g/mol
Monoisotopic mass
247.9966 Da
Chemical classification: NPClassifier (Kim et al., 2021)
| Plant | Plant part | Amount | Reference |
|---|---|---|---|
| Arctium lappa L. | fruit | 125 ppm |
Jim Duke's personal files.
|