EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:17818 - N-feruloyltyramine

ChEBI IDCHEBI:17818
ChEBI NameN-feruloyltyramine
Stars
ASCII NameN-feruloyltyramine
Secondary ChEBI IDsCHEBI:7272, CHEBI:12500, CHEBI:21701
Last Modified9 August 2019
DownloadsMolfile
FormulaC18H19NO4
Net Charge0
Average Mass313.353
Monoisotopic Mass313.13141
SMILESCOc1cc(/C=C/C(=O)NCCc2ccc(O)cc2)ccc1O
InChIInChI=1S/C18H19NO4/c1-23-17-12-14(4-8-16(17)21)5-9-18(22)19-11-10-13-2-6-15(20)7-3-13/h2-9,12,20-21H,10-11H2,1H3,(H,19,22)/b9-5+
InChIKeyNPNNKDMSXVRADT-WEVVVXLNSA-N
Species of MetaboliteComponentSourceComments
Pisonia aculeata (ncbitaxon:363212)
stem (BTO:0001300) PubMed (21542597) Cold methanolic extract of dried stems and roots
root (BTO:0001188) PubMed (21542597) Cold methanolic extract of dried stems and roots
Piper boehmeriaefolium (ncbitaxon:130389) whole plant (BTO:0001461) PubMed (21158422) Methanolic extract of air-dried, powdered whole plant
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
N-feruloyltyramine (CHEBI:17818) has role metabolite (CHEBI:25212)
N-feruloyltyramine (CHEBI:17818) is a tyramines (CHEBI:27175)
IUPAC Name 
(2E)-3-(4-hydroxy-3-methoxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]prop-2-enamide
Synonyms  Source
N-FeruloyltyramineKEGG COMPOUND
MoupinamideChemIDplus
trans-N-FeruloyltyramineKEGG COMPOUND
UniProt Name  Source
N-[(E)-feruloyl]tyramineUniProt
Manual XrefsDatabases
C02717KEGG COMPOUND
C00000660KNApSAcK
Registry NumbersSources
CAS:65646-26-6ChemIDplus
CAS:66648-43-9KEGG COMPOUND