ALPHA-HUMULENE

Structure

2D structure of ALPHA-HUMULENE
2D structure
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3D model

Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 5281520

Names and identifiers

Name

ALPHA-HUMULENE

Also reported as

HUMULENE

IUPAC name

(1E,4E,8E)-2,6,6,9-tetramethylcycloundeca-1,4,8-triene

SMILES

C/C/1=C\CC(/C=C/C/C(=C/CC1)/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 1-22 ppm
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.
Amorpha fruticosa L. fruit, essential oil -
Motl, O., Romanuk, M., Herout, V. (1966). Composition of the oil from Amorpha fruticosa L. fruits structure of (-)-gamma-amorphene. Collect Czech Chem Commun, 31(5), 2025-2033 doi:10.1135/cccc19662025
Artemisia annua L. - 1-120 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 1-285 ppm
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.
Artemisia verlotiorum Lamotte root -
Chemical Constituents of Artemisia verlotiorum Essential Oil on Cultivation at the Subtropical Conditions of North India doi:10.1080/10412905.2006.9699164
Ballota nigra L. subsp. meridionalis (Bég.) Bég. - 8 ppm
Lawrence, B.M., Essential Oils 1976-1977, Essential Oils 1978, Essential Oils 1979-1980.
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
Cirsium arvense (L.) Scop. root, essential oil -
Binder, R.G., French, R.C. (1994). Volatile components of canada thistle. J Agr Food Chem, 42(12), 2942-2945 doi:10.1021/jf00048a056
Cyperus difformis L. essential oil -
Iwamura, J. (1979). The constituents of essential oils from Cyperus polystachyos Rottb., Cyperus globosus Allioni and Cyperus difformis L. Nippon Nogei Kagaku Kaishi, 53, 343-347
Cyperus glomeratus L. root -
Chemical Composition of the Essential Oil of Cyperus glomeratus L. (Cyperaceae) from Serbia doi:10.1080/10412905.2010.9700404
Daucus carota L. root 12 ppm
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.
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
Galatella linosyris (L.) Rchb.f. subsp. linosyris root -
Composition and antimicrobial activity of the essential oil from Galatella linosyris (L.) Rchb. f. (Asteraceae) doi:10.2298/jsc110915213g
Geranium purpureum Vill. root -
(1)In vitro anti-urease, antioxidant activities and phytochemical composition of Geranium purpureum - (2)Antimicrobial Activity and Analyses of Six Geranium L. Species with Headspace SPME and Hydrodistillation
Humulus lupulus L. - -
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.
Humulus lupulus L. essential oil 400000 ppm
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.
Humulus lupulus L. flower -
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.
Humulus lupulus L. fruit 1200 ppm
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.
Hypericum perforatum L. - 1-18 ppm
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.
Hypericum perforatum L. - -
Leung, A. Y. and Foster, S. 1995. Encyclopedia of Common Natural Ingredients 2nd Ed. John Wiley & Sons, New York. 649 pp.
Hypericum perforatum L. essential oil -
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.
Juniperus communis L. fruit 102 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 19-192 ppm
Lawrence, B.M., Essential Oils 1976-1977, Essential Oils 1978, Essential Oils 1979-1980.
Mentha spicata L. essential oil -
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.
Mentha spicata L. leaf -
Duke, J. A. Writeups or information summaries on approximately 2,000 economic plants, USDA, ARS, Beltsville, MD 20705.
Nepeta cataria L. - 18-170 ppm
Bourrel, C., Perineau, F., Michel, G., Bessiere, J.M. 1993. Catnip (Nepeta cataria L.) Essential Oil: Analysis of Chemical Constituents, Bacteriostatic and Fungistatic Properties. J. Ess. Oil Res., 5: 159-167.
Petasites hybridus (L.) G.Gaertn., B.Mey. & Scherb. subsp. hybridus rhizome -
List, P.H. and Horhammer, L., Hager's Handbuch der Pharmazeutischen Praxis, Vols. 2-6, Springer-Verlag, Berlin, 1969-1979.
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
Platanthera bifolia (L.) Rich. - -
No reference
Pulicaria dysenterica (L.) Bernh. root -
Bohlmann, F., Zdero, C. (1981). Caryophyllene derivatives and a hydroxyisocomene from Pulicaria dysenterica. Phytochemistry, 20(11), 2529-2534 doi:10.1016/0031-9422(81)83087-7
Senecio inaequidens DC. aerial parts -
Bohlmann, F., Zdero, C. (1978). Naturally occurring terpene derivatives. 143. new furanoeremophilanes from south african Senecio species. Phytochemistry, 17, 1161-1164
Senecio ovatus (G.Gaertn., B.Mey. & Scherb.) Willd. subsp. alpestris (Gaudin) Herborg essential oil -
Vandooren, B., Bos, R., Tattje, D.H.E. (1981). Composition of essential oils of some species. Planta Med, 42, 385-389 doi:10.1055/s-2007-971660
Senecio vulgaris L. subsp. vulgaris essential oil -
Vandooren, B., Bos, R., Tattje, D.H.E. (1981). Composition of essential oils of some species. Planta Med, 42, 385-389 doi:10.1055/s-2007-971660