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CHEBI:367 - (+)-α-phellandrene

ChEBI IDCHEBI:367
ChEBI Name(+)-α-phellandrene
Stars
ASCII Name(+)-alpha-phellandrene
DefinitionThe (5S)-stereoisomer of α-phellandrene (5-isopropyl-2-methylcyclohexa-1,3-diene).
Last Modified23 October 2015
DownloadsMolfile
FormulaC10H16
Net Charge0
Average Mass136.238
Monoisotopic Mass136.12520
SMILES[H][C@]1(C(C)C)C=CC(C)=CC1
InChIInChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4-6,8,10H,7H2,1-3H3/t10-/m0/s1
InChIKeyOGLDWXZKYODSOB-JTQLQIEISA-N
Roles Classification
Biological Roles:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
volatile oil component  Any plant metabolite that is found naturally as a component of a volatile oil.
antimicrobial agent  A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
ChEBI Ontology
Outgoing Relation(s)
(+)-α-phellandrene (CHEBI:367) is a α-phellandrene (CHEBI:50035)
(+)-α-phellandrene (CHEBI:367) is enantiomer of (−)-α-phellandrene (CHEBI:301)
Incoming Relation(s)
(−)-α-phellandrene (CHEBI:301) is enantiomer of (+)-α-phellandrene (CHEBI:367)
IUPAC Names 
(4S)-p-mentha-1,5-diene
(5S)-2-methyl-5-(propan-2-yl)cyclohexa-1,3-diene
Synonyms  Source
(S)-(+)-alpha-PhellandreneKEGG COMPOUND
(4S)-p-mentha-1(6),2-dieneIUPAC
(5S)-5-isopropyl-2-methylcyclohexa-1,3-dieneIUPAC
Manual XrefsDatabases
C11391KEGG COMPOUND
Registry NumbersSources
Beilstein:3194394Beilstein
Reaxys:5239644Reaxys
CAS:2243-33-6KEGG COMPOUND