ARCTINONE-A

Structure

2D structure of ARCTINONE-A
2D structure
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3D model

Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 13779265

Names and identifiers

Name

ARCTINONE-A

IUPAC name

5'-(prop-1-yn-1-yl)-[2,2'-bithiophene]-5-carbaldehyde

SMILES

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

General information

Molecular formula

C12H8OS2

Molecular weight

232.33 g/mol

Monoisotopic mass

232.0017 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. root 3 ppm
Jim Duke's personal files.