CHEBI:191626 - Isopropyl cinnamate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Isopropyl cinnamate
ChEBI ID CHEBI:191626
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information ZINC000219960111
Download Molfile XML SDF
Formula C12H14O2
Net Charge 0
Average Mass 190.242
Monoisotopic Mass 190.09938
InChI InChI=1S/C12H14O2/c1-10(2)14-12(13)9-8-11-6-4-3-5-7-11/h3-10H,1-2H3/b9-8+
InChIKey RGACABDFLVLVCT-CMDGGOBGSA-N
SMILES O(C(C)C)C(=O)\C=C\C1=CC=CC=C1
Metabolite of Species Details
Ulmus parvifolia (NCBI:txid63058) Found in seed (BTO:0001226). See: MetaboLights Study
Ulmus parvifolia (NCBI:txid63058) Found in bark (BTO:0001301). See: MetaboLights Study
ChEBI Ontology
Outgoing Isopropyl cinnamate (CHEBI:191626) is a cinnamate ester (CHEBI:36087)
IUPAC Name
propan-2-yl (E)-3-phenylprop-2-enoate
Manual Xref Database
4437888 ChemSpider
View more database links
Registry Number Type Source
6/5/7780 CAS Registry Number ChemIDplus