LAPPAPHEN-A
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Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 13856336
Name
LAPPAPHEN-A
IUPAC name
(3S,6aS,9aR,9bR)-3-hydroxy-6,9-dimethylene-3-(2-oxo-2-(5'-(prop-1-yn-1-yl)-[2,2'-bithiophen]-5-yl)ethyl)decahydroazuleno[4,5-b]furan-2(3H)-one
SMILES
CC#CC1=CC=C(S1)C2=CC=C(S2)C(=O)C[C@@]3(C4CCC(=C)[C@H]5CCC(=C)[C@@H]5[C@H]4OC3=O)O
Molecular formula
C27H26O4S2
Molecular weight
478.64 g/mol
Monoisotopic mass
478.1273 Da
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 | - |
Jim Duke's personal files.
|