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CHEBI:50035 - α-phellandrene

ChEBI IDCHEBI:50035
ChEBI Nameα-phellandrene
Stars
ASCII Namealpha-phellandrene
DefinitionOne of a pair of phellandrene cyclic monoterpene double-bond isomers in which both double bonds are endocyclic (cf. α-phellandrene, where one of them is exocyclic).
Last Modified4 April 2019
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC10H16
Net Charge0
Average Mass136.238
Monoisotopic Mass136.12520
SMILESCC1=CCC(C(C)C)C=C1
InChIInChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4-6,8,10H,7H2,1-3H3
InChIKeyOGLDWXZKYODSOB-UHFFFAOYSA-N
Roles Classification
Biological Roles:
antimicrobial agent  A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
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.
ChEBI Ontology
Outgoing Relation(s)
α-phellandrene (CHEBI:50035) has role antimicrobial agent (CHEBI:33281)
α-phellandrene (CHEBI:50035) has role plant metabolite (CHEBI:76924)
α-phellandrene (CHEBI:50035) has role volatile oil component (CHEBI:27311)
α-phellandrene (CHEBI:50035) is a cyclohexadiene (CHEBI:37613)
α-phellandrene (CHEBI:50035) is a phellandrene (CHEBI:50034)
Incoming Relation(s)
(+)-α-phellandrene (CHEBI:367) is a α-phellandrene (CHEBI:50035)
(−)-α-phellandrene (CHEBI:301) is a α-phellandrene (CHEBI:50035)
IUPAC Names 
p-mentha-1,5-diene
2-methyl-5-(propan-2-yl)cyclohexa-1,3-diene
Synonyms  Source
α-fellandreneNIST Chemistry WebBook
dihydro-p-cymeneChemIDplus
5-isopropyl-2-methylcyclohexa-1,3-dieneNIST Chemistry WebBook
1-isopropyl-4-methyl-2,4-cyclohexadieneChemIDplus
1-methyl-4-isopropyl-1,5-cyclohexadieneChemIDplus
2-methyl-5-isopropyl-1,3-cyclohexadieneChemIDplus
Manual XrefsDatabases
CPD-12226MetaCyc
HMDB0035850HMDB
Registry NumbersSources
Reaxys:1280394Reaxys
CAS:99-83-2NIST Chemistry WebBook
CAS:99-83-2ChemIDplus
Citations