isoeugenol (CHEBI:18224)

ChEBI > Main

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name	isoeugenol

ChEBI ID	CHEBI:18224

Definition	A phenylpropanoid that is an isomer of eugenol in which the allyl substituent is replaced by a prop-1-enyl group.

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

Secondary ChEBI IDs	CHEBI:14466, CHEBI:6007

Supplier Information

Download	Molfile XML SDF

Wikipedia	License

Read full article at Wikipedia

Formula

C10H12O2

Net Charge

Average Mass

164.20110

Monoisotopic Mass

164.08373

InChI

InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3-7,11H,1-2H3

InChIKey

BJIOGJUNALELMI-UHFFFAOYSA-N

SMILES

COc1cc(C=CC)ccc1O

Roles Classification
Biological Role(s):	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. 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.

ChEBI Ontology
Outgoing	isoeugenol (CHEBI:18224) has functional parent guaiacol (CHEBI:28591) isoeugenol (CHEBI:18224) has role allergen (CHEBI:50904) isoeugenol (CHEBI:18224) has role sensitiser (CHEBI:139492) isoeugenol (CHEBI:18224) is a alkenylbenzene (CHEBI:195237) isoeugenol (CHEBI:18224) is a phenylpropanoid (CHEBI:26004)

Incoming	3-methylisoeugenol (CHEBI:59083) has functional parent isoeugenol (CHEBI:18224) 5-methylisoeugenol (CHEBI:59078) has functional parent isoeugenol (CHEBI:18224) 6-methylisoeugenol (CHEBI:59077) has functional parent isoeugenol (CHEBI:18224) isoeugenol sulfate (CHEBI:133594) has functional parent isoeugenol (CHEBI:18224) cis-isoeugenol (CHEBI:50543) is a isoeugenol (CHEBI:18224) trans-isoeugenol (CHEBI:50545) is a isoeugenol (CHEBI:18224)

IUPAC Name

2-methoxy-4-(prop-1-en-1-yl)phenol

Synonyms	Sources
1-Hydroxy-2-methoxy-4-propen-1-ylbenzene	ChemIDplus
1-Hydroxy-2-methoxy-4-propenylbenzene	NIST Chemistry WebBook
2-Methoxy-4-propenylphenol	ChemIDplus
3-Methoxy-4-hydroxypropenylbenzene	NIST Chemistry WebBook
4-Hydroxy-3-methoxypropenylbenzene	NIST Chemistry WebBook
4-Propenylguaiacol	ChemIDplus
Isoeugenol	KEGG COMPOUND
isoeugenol	UniProt
Propenylguaiacol	NIST Chemistry WebBook

Last Modified

24 May 2023