CHEBI:36999 - perillic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name perillic acid
ChEBI ID CHEBI:36999
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:25936, CHEBI:29661
Supplier Information
Download Molfile XML SDF
Formula C10H14O2
Net Charge 0
Average Mass 166.21696
Monoisotopic Mass 166.09938
InChI InChI=1S/C10H14O2/c1-7(2)8-3-5-9(6-4-8)10(11)12/h5,8H,1,3-4,6H2,2H3,(H,11,12)
InChIKey CDSMSBUVCWHORP-UHFFFAOYSA-N
SMILES CC(=C)C1CCC(=CC1)C(O)=O
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Source: BioModels - MODEL1507180067 See: PubMed
Homo sapiens (NCBI:txid9606) See: DOI
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
Application(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing perillic acid (CHEBI:36999) has role antineoplastic agent (CHEBI:35610)
perillic acid (CHEBI:36999) has role human metabolite (CHEBI:77746)
perillic acid (CHEBI:36999) has role mouse metabolite (CHEBI:75771)
perillic acid (CHEBI:36999) is a α,β-unsaturated monocarboxylic acid (CHEBI:79020)
perillic acid (CHEBI:36999) is a cyclohexenecarboxylic acid (CHEBI:23483)
perillic acid (CHEBI:36999) is conjugate acid of perillate (CHEBI:62641)
Incoming perillyl-coenzyme A (CHEBI:37002) has functional parent perillic acid (CHEBI:36999)
perillate (CHEBI:62641) is conjugate base of perillic acid (CHEBI:36999)
IUPAC Name
4-(prop-1-en-2-yl)cyclohex-1-ene-1-carboxylic acid
Synonyms Sources
4-(1-methylethenyl)-1-cyclohexene-1-carboxylic acid ChEBI
4-isopropenylcyclohex-1-enecarboxylic acid ChemIDplus
Perillic acid KEGG COMPOUND
Manual Xrefs Databases
C00010870 KNApSAcK
C11924 KEGG COMPOUND
LMPR0102090041 LIPID MAPS
View more database links
Registry Numbers Types Sources
7694-45-3 CAS Registry Number KEGG COMPOUND
7694-45-3 CAS Registry Number ChemIDplus
Last Modified
27 January 2016