3-(3,4,5-timethoxyphenyl)propanoylpyrrole (CHEBI:70086)

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ChEBI Name	3-(3,4,5-timethoxyphenyl)propanoylpyrrole

ChEBI ID	CHEBI:70086

Definition	A natural product found in Piper boehmeriaefolium.

Stars	This entity has been manually annotated by a third party.

Supplier Information

Download	Molfile XML SDF

Formula

C16H19NO4

Net Charge

Average Mass

289.32640

Monoisotopic Mass

289.13141

InChI

InChI=1S/C16H19NO4/c1-19-13-10-12(11-14(20-2)16(13)21-3)6-7-15(18)17-8-4-5-9-17/h4-5,8-11H,6-7H2,1-3H3

InChIKey

OEPMYHLWGJDONN-UHFFFAOYSA-N

SMILES

COc1cc(CCC(=O)n2cccc2)cc(OC)c1OC

Metabolite of Species	Details
Piper boehmeriaefolium (NCBI:txid130389)	Found in whole plant (BTO:0001461). Methanolic extract of air-dried, powdered whole plant See: PubMed

Roles Classification
Chemical Role(s):	Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound )

Biological Role(s):	metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.

ChEBI Ontology
Outgoing	3-(3,4,5-timethoxyphenyl)propanoylpyrrole (CHEBI:70086) has role metabolite (CHEBI:25212) 3-(3,4,5-timethoxyphenyl)propanoylpyrrole (CHEBI:70086) is a amine (CHEBI:32952)

Citation	Type	Source
21158422	PubMed citation	Europe PMC

Last Modified

22 September 2014

General Comment
2014-10-17	Suggested Classification: ISA:methoxybenzene(CHEBI:51683); ISA:aromatic ether(CHEBI:35618); ISA:aralkylamine(CHEBI:18000); ISA:pyrroles(CHEBI:26455); ISA:fatty amide(CHEBI:29348); ISA:amide(CHEBI:32988); ISA:organonitrogen compound(CHEBI:35352);