CHEBI:48741 - β-phellandrene

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name β-phellandrene
ChEBI ID CHEBI:48741
ChEBI ASCII Name beta-phellandrene
Definition One of a pair of phellandrene cyclic monoterpene double-bond isomers in which one double bond is exocyclic (cf. α-phellandrene, where both of them are endoocyclic).
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:546332
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,3,5,7H2,1-2H3
InChIKey LFJQCDVYDGGFCH-UHFFFAOYSA-N
SMILES CC(C)C1CCC(=C)C=C1
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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing β-phellandrene (CHEBI:48741) has role plant metabolite (CHEBI:76924)
β-phellandrene (CHEBI:48741) is a phellandrene (CHEBI:50034)
Incoming (−)-β-phellandrene (CHEBI:129) is a β-phellandrene (CHEBI:48741)
(+)-β-phellandrene (CHEBI:53) is a β-phellandrene (CHEBI:48741)
IUPAC Names
3-methylidene-6-(propan-2-yl)cyclohex-1-ene
p-mentha-1(7),2-diene
Synonyms Sources
2-p-menthadiene ChemIDplus
3-isopropyl-6-methylene-1-cyclohexene NIST Chemistry WebBook
3-methylene-6-(1-methylethyl)cyclohexene ChemIDplus
4-isopropyl-1-methylene-2-cyclohexene ChemIDplus
β-Phellandren ChEBI
beta-phellandrene ChEMBL
β-phellandrene UniProt
Manual Xrefs Databases
Beta-phellandrene MetaCyc
HMDB0036081 HMDB
View more database links
Registry Numbers Types Sources
2038351 Reaxys Registry Number Reaxys
2038351 Beilstein Registry Number Beilstein
555-10-2 CAS Registry Number ChemIDplus
555-10-2 CAS Registry Number NIST Chemistry WebBook
Citations Waiting for Citations Types Sources
16780354 PubMed citation Europe PMC
22978237 PubMed citation Europe PMC
23074920 PubMed citation Europe PMC
23162914 PubMed citation Europe PMC
23285820 PubMed citation Europe PMC
23472478 PubMed citation Europe PMC
23659167 PubMed citation Europe PMC
23738471 PubMed citation Europe PMC
24354204 PubMed citation Europe PMC
24427963 PubMed citation Europe PMC
24617143 PubMed citation Europe PMC
24689308 PubMed citation Europe PMC
25115100 PubMed citation Europe PMC
25230518 PubMed citation Europe PMC
8460944 PubMed citation Europe PMC
Last Modified
23 October 2015