BETA-THUJONE

Structure

2D structure of BETA-THUJONE
2D structure
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3D model

Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 91456

Names and identifiers

Name

BETA-THUJONE

IUPAC name

(1S,4S,5R)-1-isopropyl-4-methylbicyclo[3.1.0]hexan-3-one

SMILES

C[C@H]1[C@H]2C[C@]2(CC1=O)C(C)C

General information

Molecular formula

C10H16O

Molecular weight

152.24 g/mol

Monoisotopic mass

152.1201 Da

Classification

Pathway:
Superclass:
Class:
Glycoside:
No

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

Plants with the compound

Plant Plant part Amount Reference
Achillea millefolium L. subsp. millefolium leaf 1-30 ppm
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.
Artemisia verlotiorum Lamotte leaf -
Chemical Constituents of Artemisia verlotiorum Essential Oil on Cultivation at the Subtropical Conditions of North India doi:10.1080/10412905.2006.9699164
Tanacetum vulgare L. subsp. vulgare leaf 1124-3500 ppm
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.