CHEBI:50545 - trans-isoeugenol

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name trans-isoeugenol
ChEBI ID CHEBI:50545
ChEBI ASCII Name trans-isoeugenol
Definition The trans-stereoisomer of isoeugenol.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C10H12O2
Net Charge 0
Average Mass 164.20108
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/b4-3+
InChIKey BJIOGJUNALELMI-ONEGZZNKSA-N
SMILES COc1cc(\C=C\C)ccc1O
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in saliva (UBERON:0001836). See: PubMed
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
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.
(via isoeugenol )
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.
(via isoeugenol )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing trans-isoeugenol (CHEBI:50545) has role plant metabolite (CHEBI:76924)
trans-isoeugenol (CHEBI:50545) is a isoeugenol (CHEBI:18224)
Incoming isoeugenol acetate (CHEBI:86583) has functional parent trans-isoeugenol (CHEBI:50545)
IUPAC Name
2-methoxy-4-[(1E)-prop-1-en-1-yl]phenol
Synonyms Sources
(E)-2-Methoxy-4-(prop-1-enyl)phenol HMDB
(E)-isoeugenol UniProt
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
iso-Eugenol 2 NIST Chemistry WebBook
Isoeugenol (I) NIST Chemistry WebBook
Isoeugenol E NIST Chemistry WebBook
Isoeugenol trans-form ChemIDplus
Isoeugenol Z NIST Chemistry WebBook
Propenylgualacol HMDB
trans-2-methoxy-4-(1-propenyl)phenol NIST Chemistry WebBook
trans-2-Methoxy-4-propenylphenol ChemIDplus
trans-4-Propenylgualacol HMDB
trans-p-Propenylquaiacol ChemIDplus
Manual Xrefs Databases
C00000620 KNApSAcK
C10469 KEGG COMPOUND
HMDB0005802 HMDB
ISOEUGENOL MetaCyc
View more database links
Registry Numbers Types Sources
2046156 Reaxys Registry Number Reaxys
5932-68-3 CAS Registry Number NIST Chemistry WebBook
5932-68-3 CAS Registry Number ChemIDplus
97-54-1 CAS Registry Number KEGG COMPOUND
Citations Waiting for Citations Types Sources
15964168 PubMed citation Europe PMC
24421258 PubMed citation Europe PMC
Last Modified
09 December 2022