CHEBI:18224 - isoeugenol

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name isoeugenol
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
Waiting for wikipedia content
Read full article at Wikipedia
Formula C10H12O2
Net Charge 0
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
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.
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.
View more via ChEBI Ontology
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 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)
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 UniProt
Propenylguaiacol NIST Chemistry WebBook
Manual Xrefs Databases
Isoeugenol Wikipedia
View more database links
Registry Numbers Types Sources
1909602 Beilstein Registry Number Beilstein
1909602 Reaxys Registry Number Reaxys
2235523 Gmelin Registry Number Gmelin
97-54-1 CAS Registry Number KEGG COMPOUND
97-54-1 CAS Registry Number ChemIDplus
97-54-1 CAS Registry Number NIST Chemistry WebBook
Citations Waiting for Citations Types Sources
11033063 PubMed citation Europe PMC
17573874 PubMed citation Europe PMC
17698059 PubMed citation Europe PMC
18416757 PubMed citation Europe PMC
21969073 PubMed citation Europe PMC
21989800 PubMed citation Europe PMC
22613214 PubMed citation Europe PMC
22671430 PubMed citation Europe PMC
22686307 PubMed citation Europe PMC
22827268 PubMed citation Europe PMC
23047101 PubMed citation Europe PMC
23161090 PubMed citation Europe PMC
23281757 PubMed citation Europe PMC
23286982 PubMed citation Europe PMC
23306890 PubMed citation Europe PMC
23391906 PubMed citation Europe PMC
23627552 PubMed citation Europe PMC
29079364 PubMed citation Europe PMC
9084914 PubMed citation Europe PMC
Last Modified
19 January 2018