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CHEBI:36999 - perillic acid
| Formula | C10H14O2 |
| Net Charge | 0 |
| Average Mass | 166.220 |
| Monoisotopic Mass | 166.09938 |
| SMILES | C=C(C)C1CC=C(C(=O)O)CC1 |
| 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 |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | - | DOI (10.1038/nbt.2488) | |
| Mus musculus (ncbitaxon:10090) | - | PubMed (19425150) | Source: BioModels - MODEL1507180067 |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Roles: | 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: | antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 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 cyclohexenecarboxylic acid (CHEBI:23483) |
| perillic acid (CHEBI:36999) is a α,β-unsaturated monocarboxylic acid (CHEBI:79020) |
| perillic acid (CHEBI:36999) is conjugate acid of perillate (CHEBI:62641) |
| Incoming Relation(s) |
| 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 | Source |
|---|---|
| 4-(1-methylethenyl)-1-cyclohexene-1-carboxylic acid | ChEBI |
| Perillic acid | KEGG COMPOUND |
| 4-isopropenylcyclohex-1-enecarboxylic acid | ChemIDplus |
| Manual Xrefs | Databases |
|---|---|
| C11924 | KEGG COMPOUND |
| LMPR0102090041 | LIPID MAPS |
| C00010870 | KNApSAcK |
| Registry Numbers | Sources |
|---|---|
| CAS:7694-45-3 | KEGG COMPOUND |
| CAS:7694-45-3 | ChemIDplus |