beta-myrcene (CHEBI:17221)

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ChEBI Name	β-myrcene

ChEBI ID	CHEBI:17221

ChEBI ASCII Name	beta-myrcene

Definition	A monoterpene that is octa-1,6-diene bearing methylene and methyl substituents at positions 3 and 7 respectively.

Stars	This entity has been manually annotated by the ChEBI Team.

Secondary ChEBI IDs	CHEBI:14635, CHEBI:22849, CHEBI:25452, CHEBI:7052

Supplier Information	ZINC000032296380

Download	Molfile XML SDF

Wikipedia	License
Myrcene, or β-myrcene, is a monoterpene. A colorless oil, it occurs widely in essential oils. It is produced mainly semi-synthetically from Myrcia, from which it gets its name. It is an intermediate in the production of several fragrances. A less-common isomeric form, having one of the three alkene units in a different position, is α-myrcene.
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Formula

C10H16

Net Charge

Average Mass

136.23400

Monoisotopic Mass

136.12520

InChI

InChI=1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h5,7H,1,4,6,8H2,2-3H3

InChIKey

UAHWPYUMFXYFJY-UHFFFAOYSA-N

SMILES

CC(C)=CCCC(=C)C=C

Metabolite of Species	Details
Angelica pubescens (NCBI:txid312530)	See: Yin, et al., Modern Study of Chinese Drugs and Clinical Applications (1), Xueyuan Press, Beijing, (1993).
Guatteriopsis hispida (NCBI:txid402570)	See: Costa,Phytochem.,69,(2008),1895
Bupleurum chinense (NCBI:txid52451)	See: Yin, et al., Modern Study of Chinese Drugs and Clinical Applications (1), Xueyuan Press, Beijing, (1993).

Roles Classification
Biological Role(s):	plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. anabolic agent A compound which stimulates anabolism and inhibits catabolism. Anabolic agents stimulate the development of muscle mass, strength, and power. flavouring agent A food additive that is used to added improve the taste or odour of a food. volatile oil component Any plant metabolite that is found naturally as a component of a volatile oil.

Application(s):	anti-inflammatory agent Any compound that has anti-inflammatory effects. fragrance A substance, extract, or preparation for diffusing or imparting an agreeable or attractive smell. flavouring agent A food additive that is used to added improve the taste or odour of a food.

ChEBI Ontology
Outgoing	β-myrcene (CHEBI:17221) has role anabolic agent (CHEBI:36413) β-myrcene (CHEBI:17221) has role anti-inflammatory agent (CHEBI:67079) β-myrcene (CHEBI:17221) has role flavouring agent (CHEBI:35617) β-myrcene (CHEBI:17221) has role fragrance (CHEBI:48318) β-myrcene (CHEBI:17221) has role plant metabolite (CHEBI:76924) β-myrcene (CHEBI:17221) has role volatile oil component (CHEBI:27311) β-myrcene (CHEBI:17221) is a monoterpene (CHEBI:35187)

IUPAC Name

7-methyl-3-methylideneocta-1,6-diene

Citations

Last Modified

31 July 2016