BETA-CUBEBENE

Structure

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

Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 93081

Names and identifiers

Name

BETA-CUBEBENE

IUPAC name

(3aS,3bR,4S,7R,7aR)-4-isopropyl-7-methyl-3-methyleneoctahydro-1H-cyclopenta[1,3]cyclopropa[1,2]benzene

SMILES

C[C@@H]1CC[C@H]([C@H]2[C@]13[C@@H]2C(=C)CC3)C(C)C

General information

Molecular formula

C15H24

Molecular weight

204.36 g/mol

Monoisotopic mass

204.1878 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 1-15 ppm
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.
Artemisia annua L. leaf 55-1775 ppm
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.
Bellis perennis L. flower, essential oil -
Avato, P., Tava, A. (1995). Acetylenes and terpenoids of Bellis perennis. Phytochemistry, 40(1), 141-147 doi:10.1016/0031-9422(95)00183-8
Bellis perennis L. leaf, essential oil -
Avato, P., Tava, A. (1995). Acetylenes and terpenoids of Bellis perennis. Phytochemistry, 40(1), 141-147 doi:10.1016/0031-9422(95)00183-8
Cyperus glomeratus L. leaf -
Chemical Composition of the Essential Oil of Cyperus glomeratus L. (Cyperaceae) from Serbia doi:10.1080/10412905.2010.9700404
Humulus lupulus L. fruit 5 ppm
CRC Handbook of Medicinal Herbs and/or CRC Handbook of Proximate Analyses
Pinus nigra J.F.Arnold subsp. nigra essential oil -
Chalchat, J.C., Gornovic, M.S. (1995). Chemotaxonomy of pines native to the Balkans. Pharmazie, 50(4), 281-283
Torilis arvensis (Huds.) Link subsp. arvensis aerial parts, essential oil -
Saad, H.E.A., El-sharkawy, S.H., Halim, A.F. (1995). Composition of the essential oils of the leaves and stems of Torilis arvensis. Pharm Acta Helv, 70(1), 85-87 doi:10.1016/0031-6865(94)00053-x