4,5-EPITHIOCARYOPHYLLENE

Structure

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3D model

Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 101600318

(1R,10S)-4,12,12-trimethyl-9-methylene-5-thiatricyclo[8.2.0.04,6]dodecane

[C@@H]12C(CCC3C(CC[C@H]1C(C2)(C)C)(C)S3)=C

C₁₅H₂₄S

236.42 g/mol

236.1599 Da

Pathway:

Superclass:

Class:

Glycoside:

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

Plant	Plant part	Amount	Reference
Humulus lupulus L.	essential oil	-	Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.
Humulus lupulus L.	fruit	-	Leung, A.Y., Encyclopedia of Common Natural Ingredients Used in Food, Drugs, and Cosmetics, John Wiley & Sons, New York, 1980.
Rosa canina L.	essential oil	-	Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.
Rosa corymbifera Borkh.	essential oil	-	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
Humulus lupulus L.	essential oil	-	Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.
Humulus lupulus L.	fruit	-	Leung, A.Y., Encyclopedia of Common Natural Ingredients Used in Food, Drugs, and Cosmetics, John Wiley & Sons, New York, 1980.
Rosa canina L.	essential oil	-	Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.
Rosa corymbifera Borkh.	essential oil	-	Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.