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CHEBI:4867 - estragole
| Formula | C10H12O |
| Net Charge | 0 |
| Average Mass | 148.205 |
| Monoisotopic Mass | 148.08882 |
| SMILES | C=CCc1ccc(OC)cc1 |
| InChI | InChI=1S/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3,5-8H,1,4H2,2H3 |
| InChIKey | ZFMSMUAANRJZFM-UHFFFAOYSA-N |
| Wikipedia |
|---|
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | |||
| faeces (UBERON:0001988) | PubMed (19167006) | ||
| saliva (UBERON:0001836) | PubMed (24421258) | ||
| Ocimum basilicum (ncbitaxon:39350) | - | PubMed (10552889) | |
| Agastache rugosa (ncbitaxon:39271) | - | PubMed (12575134) | |
| Ocimum tenuiflorum (ncbitaxon:204149) | - | PubMed (18095647) | |
| Pimpinella anisum (ncbitaxon:271192) | fruit (BTO:0000486) | PubMed (18266152) | |
| Tagetes filifolia (ncbitaxon:399409) | - | PubMed (21469658) | |
| Anthriscus cerefolium (ncbitaxon:40888) | - | PubMed (21922923) | |
| Ocimum selloi (ncbitaxon:204218) | - | PubMed (21834250) |
| Roles Classification |
|---|
| Biological Roles: | carcinogenic agent A role played by a chemical compound which is known to induce a process of carcinogenesis by corrupting normal cellular pathways, leading to the acquistion of tumoral capabilities. genotoxin A role played by a chemical compound to induce direct or indirect DNA damage. Such damage can potentially lead to the formation of a malignant tumour, but DNA damage does not lead inevitably to the creation of cancerous cells. plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. flavouring agent A food additive that is used to added improve the taste or odour of a food. insect attractant A chemical that attracts insects. |
| Application: | flavouring agent A food additive that is used to added improve the taste or odour of a food. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| estragole (CHEBI:4867) has functional parent chavicol (CHEBI:50158) |
| estragole (CHEBI:4867) has role carcinogenic agent (CHEBI:50903) |
| estragole (CHEBI:4867) has role flavouring agent (CHEBI:35617) |
| estragole (CHEBI:4867) has role genotoxin (CHEBI:50902) |
| estragole (CHEBI:4867) has role insect attractant (CHEBI:24850) |
| estragole (CHEBI:4867) has role plant metabolite (CHEBI:76924) |
| estragole (CHEBI:4867) is a alkenylbenzene (CHEBI:195237) |
| estragole (CHEBI:4867) is a monomethoxybenzene (CHEBI:25235) |
| estragole (CHEBI:4867) is a phenylpropanoid (CHEBI:26004) |
| IUPAC Name |
|---|
| 1-methoxy-4-(prop-2-en-1-yl)benzene |
| Synonyms | Source |
|---|---|
| estragole | KEGG COMPOUND |
| esdragole | HMDB |
| methylchavicol | HMDB |
| chavicyl methyl ether | HMDB |
| chavicol methyl ether | HMDB |
| 1-methoxy-4-(2-propen-1-yl)benzene | HMDB |
| UniProt Name | Source |
|---|---|
| O-methylchavicol | UniProt |
| Citations |
|---|