ISOLAPPAOL-A

Structure

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

Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 46173976

Names and identifiers

Name

ISOLAPPAOL-A

Also reported as

LAPPAOL-A

IUPAC name

(3R,4R)-3-(4-hydroxy-3-methoxybenzyl)-4-(((2S,3R)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydrobenzofuran-5-yl)methyl)dihydrofuran-2(3H)-one

SMILES

COC1=CC(=CC=C1O)C[C@@H]2[C@H](COC2=O)CC3=CC4=C(C(=C3)OC)O[C@@H]([C@H]4CO)C5=CC(=C(C=C5)O)OC

General information

Molecular formula

C30H32O9

Molecular weight

536.58 g/mol

Monoisotopic mass

536.2046 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. fruit 100 ppm; 50 ppm
Jim Duke's personal files.
Arctium lappa L. seed -
Jim Duke's personal files.