ARCTINONE
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Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 100528
Name
ARCTINONE
IUPAC name
(3R,4R)-4-(3,4-dimethoxybenzyl)-3-(3-methoxy-4-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)benzyl)dihydrofuran-2(3H)-one
SMILES
COC1=C(C=C(C=C1)C[C@H]2COC(=O)[C@@H]2CC3=CC(=C(C=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)OC)OC
Molecular formula
C27H34O11
Molecular weight
534.56 g/mol
Monoisotopic mass
534.2101 Da
Pathway:
Superclass:
Class:
Glycoside:
Yes
Chemical classification: NPClassifier (Kim et al., 2021)
| 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. | root | - |
Bisset, N.G., ed. 1994. Herbal Drugs and Phytopharmaceuticals. CRC Press. Boca Raton, FL. 566 pp.
|