beta-phellandrene (CHEBI:48741)

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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

Average Mass

136.23404

Monoisotopic Mass

136.12520

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.

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

Last Modified

23 October 2015