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:txidtxid9606) 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
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-isoeugenol UniProt
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
2046156 Beilstein Registry Number Beilstein
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
23 March 2016