CHEBI:140612 - (8Z,11Z)-urushiol III

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (8Z,11Z)-urushiol III
ChEBI ID CHEBI:140612
ChEBI ASCII Name (8Z,11Z)-urushiol III
Definition Catechol substituted at position 3 with an (8Z,11Z)-pentadeca-8,11-dien-1-yl group. Stereoisomer of urushiol III (CHEBI:9909) which has (8E,11E) configuration.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C21H32O2
Net Charge 0
Average Mass 316.478
Monoisotopic Mass 316.24023
InChI InChI=1S/C21H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-17-15-18-20(22)21(19)23/h4-5,7-8,15,17-18,22-23H,2-3,6,9-14,16H2,1H3/b5-4-,8-7-
InChIKey RMTXUPIIESNLPW-UTOQUPLUSA-N
SMILES C1=CC=C(C(O)=C1O)CCCCCCC/C=C\C/C=C\CCC
Roles Classification
Biological Role(s): 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.
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ChEBI Ontology
Outgoing (8Z,11Z)-urushiol III (CHEBI:140612) has role allergen (CHEBI:50904)
(8Z,11Z)-urushiol III (CHEBI:140612) is a catechols (CHEBI:33566)
IUPAC Name
3-[(8Z,11Z)-pentadeca-8,11-dien-1-yl]benzene-1,2-diol
Synonyms Sources
urushiol (C15:2) ChEBI
urushiol III ChemIDplus
Manual Xrefs Databases
5J1A PDB
6F8 PDBeChem
View more database links
Registry Number Type Source
83258-37-1 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
12530478 PubMed citation Europe PMC
27548435 PubMed citation Europe PMC
Last Modified
04 March 2019