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CHEBI:141317 - 2-phenylethyl 1H-indol-3-ylacetate

Default Structure
ChEBI IDCHEBI:141317
ChEBI Name2-phenylethyl 1H-indol-3-ylacetate
Stars
ASCII Name2-phenylethyl 1H-indol-3-ylacetate
DefinitionA carboxylic ester resulting from the formal condensation of the carboxy group of indole-3-acetic acid with the hydroxy group of 2-phenylethanol.
Last Modified17 August 2023
SubmitterR. Stephan
DownloadsMolfile
FormulaC18H17NO2
Net Charge0
Average Mass279.339
Monoisotopic Mass279.12593
SMILESO=C(Cc1cnc2ccccc12)OCCc1ccccc1
InChIInChI=1S/C18H17NO2/c20-18(21-11-10-14-6-2-1-3-7-14)12-15-13-19-17-9-5-4-8-16(15)17/h1-9,13,19H,10-12H2
InChIKeyIRHVVAKMDAHHAI-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Colletotrichum gloeosporioides (ncbitaxon:474922) - PubMed (25421415)
Roles Classification
Biological Roles:
antifungal agent  An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce.
fungal metabolite  Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds.
ChEBI Ontology
Outgoing Relation(s)
2-phenylethyl 1H-indol-3-ylacetate (CHEBI:141317) has functional parent 2-phenylethanol (CHEBI:49000)
2-phenylethyl 1H-indol-3-ylacetate (CHEBI:141317) has functional parent indole-3-acetic acid (CHEBI:16411)
2-phenylethyl 1H-indol-3-ylacetate (CHEBI:141317) has role antifungal agent (CHEBI:35718)
2-phenylethyl 1H-indol-3-ylacetate (CHEBI:141317) has role fungal metabolite (CHEBI:76946)
2-phenylethyl 1H-indol-3-ylacetate (CHEBI:141317) is a carboxylic ester (CHEBI:33308)
2-phenylethyl 1H-indol-3-ylacetate (CHEBI:141317) is a indoles (CHEBI:24828)
IUPAC Name 
2-phenylethyl 1H-indol-3-ylacetate
Synonym  Source
2-phenylethyl 1H-indol-3-yl-acetateChEBI
Citations