ARCTIIN

Structure

2D structure of ARCTIIN
2D structure
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3D model

Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 73425485

Names and identifiers

Name

ARCTIIN

IUPAC name

(3R,4R)-3-(4-((1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl)oxy)-3-methoxybenzyl)-4-(4-hydroxy-3-methoxybenzyl)dihydrofuran-2(3H)-one

SMILES

COC1=C(C=CC(=C1)C[C@H]2COC(=O)[C@@H]2CC3=CC(=C(C=C3)OC(CO)C(C4=CC(=C(C=C4)O)OC)O)OC)O

General information

Molecular formula

C30H34O10

Molecular weight

554.59 g/mol

Monoisotopic mass

554.2152 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 12-30000 ppm
Jim Duke's personal files.
Arctium minus (Hill) Bernh. leaf -
Abraham, E.P., Crowfoot, D.M., Joseph, A.E., Osborn, E.M. (1946). An antibacterial substance from Arctium minus and Onopordon tauricum. Nature(London), 158, 744-745 doi:10.1038/158744a0
Arctium minus (Hill) Bernh. seed -
Yakhontova, L.D., Kibal'vhich, P.N. (1971). Arctin content in Arctium leiospermum seeds. Chem Nat Comp, 7(3), 287-288