EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:173696 - N-acetyl-5-methoxykynuramine

Default Structure
ChEBI IDCHEBI:173696
ChEBI NameN-acetyl-5-methoxykynuramine
Stars
Last Modified30 June 2022
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H16N2O3
Net Charge0
Average Mass236.271
Monoisotopic Mass236.11609
SMILESCOc1ccc(N)c(C(=O)CCNC(C)=O)c1
InChIInChI=1S/C12H16N2O3/c1-8(15)14-6-5-12(16)10-7-9(17-2)3-4-11(10)13/h3-4,7H,5-6,13H2,1-2H3,(H,14,15)
InChIKeyRJQIZOKNUKRKTP-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
N-acetyl-5-methoxykynuramine (CHEBI:173696) is a kynurenamines (CHEBI:24990)
IUPAC Name 
N-[3-(2-amino-5-methoxyphenyl)-3-oxopropyl]acetamide
Manual XrefsDatabases
346276ChemSpider
HMDB0062497HMDB
Registry NumbersSources
CAS:52450-39-2ChemIDplus