ANGELICOYLNEOPETASOL
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Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 6440434
Name
ANGELICOYLNEOPETASOL
Also reported as
NEOPETASIN
IUPAC name
(1R,2R,7R,8aR)-1,8a-dimethyl-6-oxo-7-(prop-1-en-2-yl)-1,2,3,4,6,7,8,8a-octahydronaphthalen-2-yl (Z)-2-methylbut-2-enoate
SMILES
C[C@H]1[C@@H](CCC2=CC(=O)[C@H](C[C@]12C)C(=C)C)OC(\C(=C([H])/C)C)=O
Molecular formula
C20H28O3
Molecular weight
316.44 g/mol
Monoisotopic mass
316.2038 Da
Chemical classification: NPClassifier (Kim et al., 2021)
| Plant | Plant part | Amount | Reference |
|---|---|---|---|
| Petasites hybridus (L.) G.Gaertn., B.Mey. & Scherb. subsp. hybridus | leaf | - |
Wichtl, M. 1984. Teedrogen. Ein Handbuch fur Apotheker und Arzte. Wissenschaftliche Verlagsgesellscharft. mbH Stuttgart. 393 pp.
|
| Petasites hybridus (L.) G.Gaertn., B.Mey. & Scherb. subsp. hybridus | rhizome | - |
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.
|
| Petasites hybridus (L.) G.Gaertn., B.Mey. & Scherb. subsp. hybridus | root | - |
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.
|