EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:50545 - trans-isoeugenol
| Formula | C10H12O2 |
| Net Charge | 0 |
| Average Mass | 164.204 |
| Monoisotopic Mass | 164.08373 |
| SMILES | C/C=C/c1ccc(O)c(OC)c1 |
| InChI | InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3-7,11H,1-2H3/b4-3+ |
| InChIKey | BJIOGJUNALELMI-ONEGZZNKSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | saliva (UBERON:0001836) | PubMed (24421258) |
| Roles Classification |
|---|
| Biological Roles: | plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. allergen A chemical compound, or part thereof, which causes the onset of an allergic reaction by interacting with any of the molecular pathways involved in an allergy. sensitiser A chemical compound that causes a substantial proportion of exposed people or animals to develop an allergic reaction in normal tissue after repeated exposure to the compound. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| trans-isoeugenol (CHEBI:50545) has role plant metabolite (CHEBI:76924) |
| trans-isoeugenol (CHEBI:50545) is a isoeugenol (CHEBI:18224) |
| Incoming Relation(s) |
| isoeugenol acetate (CHEBI:86583) has functional parent trans-isoeugenol (CHEBI:50545) |
| IUPAC Name |
|---|
| 2-methoxy-4-[(1E)-prop-1-en-1-yl]phenol |
| Synonyms | Source |
|---|---|
| 2-Methoxy-4-[(1E)-1-propenyl]phenol | HMDB |
| 2-Methoxy-4-propenylphenol | HMDB |
| 3-Methoxy-4-hydroxy-1-propen-1-ylbenzene | HMDB |
| 3-Methoxy-4-hydroxypropenylbenzene | HMDB |
| 4-Hydroxy-3-methoxy-1-propenylbenzene | HMDB |
| (E)-2-Methoxy-4-(prop-1-enyl)phenol | HMDB |
| UniProt Name | Source |
|---|---|
| (E)-isoeugenol | UniProt |
| Manual Xrefs | Databases |
|---|---|
| C00000620 | KNApSAcK |
| C10469 | KEGG COMPOUND |
| HMDB0005802 | HMDB |
| ISOEUGENOL | MetaCyc |
| Citations |
|---|