ALPHA-CUBEBENE

Structure

2D structure of ALPHA-CUBEBENE
2D structure
Drag to rotate, scroll to zoom
3D model

Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 42608159

Names and identifiers

Name

ALPHA-CUBEBENE

IUPAC name

(3aS,3bR,4S,7R)-4-isopropyl-3,7-dimethyl-3a,3b,4,5,6,7-hexahydro-1H-cyclopenta[1,3]cyclopropa[1,2]benzene

SMILES

C[C@@H]1CC[C@H]([C@H]2C13[C@@H]2C(=CC3)C)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
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. fruit -
Chemical Composition of the Essential Oil of Cyperus glomeratus L. (Cyperaceae) from Serbia doi:10.1080/10412905.2010.9700404
Erigeron annuus (L.) Desf. flower, essential oil -
Miyazawa, M., Kameoka, H. (1979). The constituents of the essential oil from Erigeron annuus. Agr Biol Chem, 43, 2199-2201 doi:10.1271/bbb1961.43.2199
Erigeron annuus (L.) Desf. leaf, essential oil -
Miyazawa, M., Kameoka, H. (1979). The constituents of the essential oil from Erigeron annuus. Agr Biol Chem, 43, 2199-2201 doi:10.1271/bbb1961.43.2199
Eupatorium cannabinum L. subsp. cannabinum aerial parts, essential oil -
Hendriks, H., Bos, R., Bruins, A.P. (1985). Analysis of the essential oil of Eupatorium cannabinum by combined gas chromatography-mass spectrometry using electron impact and negative ion chemical ionization. Planta Med, 51(6), 541-542 doi:10.1055/s-2007-969599
Humulus lupulus L. - 15 ppm
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.
Juniperus communis L. fruit 4-45 ppm
Lawrence, B.M., Essential Oils 1976-1977, Essential Oils 1978, Essential Oils 1979-1980.
Matricaria chamomilla L. essential oil -
Motl, O., Repcak, M., Budesinsky, M., Ubik, K. (1983). Further components of chamomile oil. iii. Arch Pharm(Weinheim), 316(11), 908-912
Matricaria chamomilla L. flower -
Reichling, J., Bisson, W., Becker, H. (1984). Comparative study on the production and accumulation of essential oil in the whole plant and in the callus culture of Matricaria chamomilla. Planta Med, 50(4), 334-337