CHEBI:50035 - α-phellandrene

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ChEBI Name α-phellandrene
ChEBI ID CHEBI:50035
ChEBI ASCII Name alpha-phellandrene
Definition One 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).
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C10H16
Net Charge 0
Average Mass 136.23404
Monoisotopic Mass 136.125
InChI InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4-6,8,10H,7H2,1-3H3
InChIKey OGLDWXZKYODSOB-UHFFFAOYSA-N
SMILES CC(C)C1CC=C(C)C=C1
Roles Classification
Biological Role(s): volatile oil component
Any 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.
antimicrobial agent
A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 phellandrene (CHEBI:50034)
Incoming (−)-α-phellandrene (CHEBI:301) is a α-phellandrene (CHEBI:50035)
(+)-α-phellandrene (CHEBI:367) is a α-phellandrene (CHEBI:50035)
IUPAC Names
2-methyl-5-(propan-2-yl)cyclohexa-1,3-diene
p-mentha-1,5-diene
Synonyms Sources
1-isopropyl-4-methyl-2,4-cyclohexadiene ChemIDplus
1-methyl-4-isopropyl-1,5-cyclohexadiene ChemIDplus
2-methyl-5-(1-methylethyl)-1,3-cyclohexadiene NIST Chemistry WebBook
2-methyl-5-isopropyl-1,3-cyclohexadiene ChemIDplus
4-isopropyl-1-methyl-1,5-cyclohexadiene ChemIDplus
5-isopropyl-2-methyl-1,3-cyclohexadiene ChemIDplus
5-isopropyl-2-methylcyclohexa-1,3-diene NIST Chemistry WebBook
α-fellandrene NIST Chemistry WebBook
α-Phellandren ChEBI
dihydro-p-cymene ChemIDplus
menthadiene ChemIDplus
Manual Xrefs Databases
CPD-12226 MetaCyc
HMDB0035850 HMDB
View more database links
Registry Numbers Types Sources
1280394 Beilstein Registry Number Beilstein
1280394 Reaxys Registry Number Reaxys
99-83-2 CAS Registry Number ChemIDplus
99-83-2 CAS Registry Number NIST Chemistry WebBook
Citations Waiting for Citations Types Sources
22428261 PubMed citation Europe PMC
23738471 PubMed citation Europe PMC
24292586 PubMed citation Europe PMC
24427963 PubMed citation Europe PMC
Last Modified
23 October 2015