NEOPETASAN

Structure

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3D model

Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 5320106

NEOPETASAN

(3R,4aR,5S)-4a,5-dimethyl-3-(prop-1-en-2-yl)-4,4a,5,6,7,8-hexahydronaphthalen-2(3H)-one

C1CCC2=CC(=O)[C@H](C[C@@]2([C@H]1C)C)C(=C)C

C₁₅H₂₂O

218.34 g/mol

218.1671 Da

Pathway:

Superclass:

Class:

Glycoside:

Chemical classification: NPClassifier (Kim et al., 2021)

Plant	Plant part	Amount	Reference
Petasites hybridus (L.) G.Gaertn., B.Mey. & Scherb. subsp. hybridus	-	-	Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.

Plant	Plant part	Amount	Reference
Petasites hybridus (L.) G.Gaertn., B.Mey. & Scherb. subsp. hybridus	-	-	Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.