p-cymene (CHEBI:28768)

ChEBI > Main

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name	p-cymene

ChEBI ID	CHEBI:28768

ChEBI ASCII Name	p-cymene

Definition	A monoterpene that is toluene substituted by an isopropyl group at position 4.

Stars	This entity has been manually annotated by the ChEBI Team.

Secondary ChEBI IDs	CHEBI:10624, CHEBI:25825

Supplier Information

Download	Molfile XML SDF

Wikipedia	License

Read full article at Wikipedia

Formula

C10H14

Net Charge

Average Mass

134.21816

Monoisotopic Mass

134.10955

InChI

InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3

InChIKey

HFPZCAJZSCWRBC-UHFFFAOYSA-N

SMILES

CC(C)c1ccc(C)cc1

Metabolite of Species	Details
Melaleuca alternifolia (NCBI:txid164405)	Found in leaf (BTO:0000713). See: PubMed
Homo sapiens (NCBI:txid9606)	Found in urine (BTO:0001419). See: PubMed
Homo sapiens (NCBI:txid9606)	Found in saliva (UBERON:0001836). See: PubMed

Roles Classification
Biological Role(s):	human urinary metabolite Any metabolite (endogenous or exogenous) found in human urine samples. 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.

ChEBI Ontology
Outgoing	p-cymene (CHEBI:28768) has role human urinary metabolite (CHEBI:84087) p-cymene (CHEBI:28768) has role plant metabolite (CHEBI:76924) p-cymene (CHEBI:28768) has role volatile oil component (CHEBI:27311) p-cymene (CHEBI:28768) is a monoterpene (CHEBI:35187) p-cymene (CHEBI:28768) is a toluenes (CHEBI:27024)

Incoming	4-isopropylbenzyl alcohol (CHEBI:27628) has functional parent p-cymene (CHEBI:28768) carvacrol (CHEBI:3440) has parent hydride p-cymene (CHEBI:28768) thymol (CHEBI:27607) has parent hydride p-cymene (CHEBI:28768) tea tree oil (CHEBI:83629) has part p-cymene (CHEBI:28768)

IUPAC Name

4-methyl-1-(propan-2-yl)benzene

Last Modified

10 March 2017