CHEBI:17221 - β-myrcene

ChEBI IDCHEBI:17221
ChEBI Nameβ-myrcene
Stars
ASCII Namebeta-myrcene
DefinitionA monoterpene that is octa-1,6-diene bearing methylene and methyl substituents at positions 3 and 7 respectively.
Secondary ChEBI IDsCHEBI:7052, CHEBI:14635, CHEBI:22849, CHEBI:25452
Last Modified31 July 2016
DownloadsMolfile
FormulaC10H16
Net Charge0
Average Mass136.238
Monoisotopic Mass136.12520
SMILESC=CC(=C)CCC=C(C)C
InChIInChI=1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h5,7H,1,4,6,8H2,2-3H3
InChIKeyUAHWPYUMFXYFJY-UHFFFAOYSA-N
Wikipedia
Species of MetaboliteComponentSourceComments
Angelica pubescens (ncbitaxon:312530) - Article (Yin, et al., Modern Study of Chinese Drugs and Clinical Applications (1), Xueyuan Press, Beijing, (1993).)
Bupleurum chinense (ncbitaxon:52451) - Article (Yin, et al., Modern Study of Chinese Drugs and Clinical Applications (1), Xueyuan Press, Beijing, (1993).)
Guatteriopsis hispida (ncbitaxon:402570) - Article (Costa,Phytochem.,69,(2008),1895)
Roles Classification
Biological Roles:
flavouring agent  A food additive that is used to added improve the taste or odour of a food.
anabolic agent  A compound which stimulates anabolism and inhibits catabolism. Anabolic agents stimulate the development of muscle mass, strength, and power.
volatile oil component  Any plant metabolite that is found naturally as a component of a volatile oil.
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
Applications:
flavouring agent  A food additive that is used to added improve the taste or odour of a food.
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.
ChEBI Ontology
Outgoing Relation(s)
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  Source
7-methyl-3-methylene-1,6-octadieneNIST Chemistry WebBook
7-methyl-3-methyleneocta-1,6-dieneIUBMB
beta-MyrceneKEGG COMPOUND
MyrceneKEGG COMPOUND
UniProt Name  Source
β-myrceneUniProt
Manual XrefsDatabases
C00000853KNApSAcK
C06074KEGG COMPOUND
CPD-4888MetaCyc
HMDB0038169HMDB
LMPR0102010005LIPID MAPS
MyrceneWikipedia
Registry NumbersSources
Reaxys:1719990Reaxys
Gmelin:279258Gmelin
CAS:123-35-3NIST Chemistry WebBook
CAS:123-35-3KEGG COMPOUND
CAS:123-35-3ChemIDplus
Citations