CHEBI:17221 - β-myrcene

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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
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Formula C10H16
Net Charge 0
Average Mass 136.23400
Monoisotopic Mass 136.125
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:312530) See: Yin, et al., Modern Study of Chinese Drugs and Clinical Applications (1), Xueyuan Press, Beijing, (1993).
Guatteriopsis hispida (NCBI:402570) See: Costa,Phytochem.,69,(2008),1895
Bupleurum chinense (NCBI:52451) 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 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.
View more via ChEBI Ontology
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
Synonyms Sources
7-methyl-3-methylene-1,6-octadiene NIST Chemistry WebBook
7-methyl-3-methyleneocta-1,6-diene IUBMB
beta-Myrcene KEGG COMPOUND
β-myrcene UniProt
Myrcene KEGG COMPOUND
Database Links Databases
C00000853 KNApSAcK
C06074 KEGG COMPOUND
CPD-4888 MetaCyc
HMDB0038169 HMDB
LMPR0102010005 LIPID MAPS
Myrcene Wikipedia
View more database links
Registry Numbers Types Sources
123-35-3 CAS Registry Number KEGG COMPOUND
123-35-3 CAS Registry Number ChemIDplus
123-35-3 CAS Registry Number NIST Chemistry WebBook
1719990 Reaxys Registry Number Reaxys
1719990 Beilstein Registry Number ChemIDplus
279258 Gmelin Registry Number Gmelin
Citations Waiting for Citations Types Sources
15299125 PubMed citation Europe PMC
25280163 PubMed citation Europe PMC
25503374 PubMed citation Europe PMC
25622554 PubMed citation Europe PMC
25909988 PubMed citation Europe PMC
27439360 PubMed citation Europe PMC
9268308 PubMed citation Europe PMC
Last Modified
31 July 2016