estragole (CHEBI:4867)

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ChEBI Name	estragole

ChEBI ID	CHEBI:4867

Definition	A phenylpropanoid that is chavicol in which the hydroxy group is replaced by a methoxy group.

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

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Formula

C10H12O

Net Charge

Average Mass

148.205

Monoisotopic Mass

148.08882

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

SMILES

COC1=CC=C(CC=C)C=C1

Metabolite of Species	Details
Ocimum tenuiflorum (NCBI:txid204149)	See: PubMed
Ocimum selloi (NCBI:txid204218)	See: PubMed
Pimpinella anisum (NCBI:txid271192)	Found in fruit (BTO:0000486). See: PubMed
Agastache rugosa (NCBI:txid39271)	See: PubMed
Ocimum basilicum (NCBI:txid39350)	See: PubMed
Tagetes filifolia (NCBI:txid399409)	See: PubMed
Anthriscus cerefolium (NCBI:txid40888)	See: PubMed
Homo sapiens (NCBI:txid9606)	Found in saliva (UBERON:0001836). See: PubMed
Homo sapiens (NCBI:txid9606)	Found in faeces (UBERON:0001988). See: PubMed

Roles Classification
Biological Role(s):	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. plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. 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. 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.

Application(s):	flavouring agent A food additive that is used to added improve the taste or odour of a food.

ChEBI Ontology
Outgoing	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

Last Modified

25 May 2023