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CHEBI:67378 - N-trans-feruloyl-4'-O-methyldopamine

ChEBI IDCHEBI:67378
ChEBI NameN-trans-feruloyl-4'-O-methyldopamine
Stars
ASCII NameN-trans-feruloyl-4'-O-methyldopamine
DefinitionA member of the class of cinnamamides that is an enamide obtained by the formal condensation of ferulic acid with 4'-O-methyldopamine. It has been isolated from Pisonia aculeata.
Last Modified7 March 2018
DownloadsMolfile
FormulaC19H21NO5
Net Charge0
Average Mass343.379
Monoisotopic Mass343.14197
SMILESCOc1ccc(CCNC(=O)/C=C/c2ccc(O)c(OC)c2)cc1O
InChIInChI=1S/C19H21NO5/c1-24-17-7-4-14(11-16(17)22)9-10-20-19(23)8-5-13-3-6-15(21)18(12-13)25-2/h3-8,11-12,21-22H,9-10H2,1-2H3,(H,20,23)/b8-5+
InChIKeyACSWAJLDOHJFNA-VMPITWQZSA-N
Species of MetaboliteComponentSourceComments
Pisonia aculeata (ncbitaxon:363212)
root (BTO:0001188) PubMed (21542597) Cold methanolic extract of dried stems and roots
stem (BTO:0001300) PubMed (21542597) Cold methanolic extract of dried stems and roots
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
N-trans-feruloyl-4'-O-methyldopamine (CHEBI:67378) has functional parent trans-ferulic acid (CHEBI:17620)
N-trans-feruloyl-4'-O-methyldopamine (CHEBI:67378) has role plant metabolite (CHEBI:76924)
N-trans-feruloyl-4'-O-methyldopamine (CHEBI:67378) is a cinnamamides (CHEBI:23247)
N-trans-feruloyl-4'-O-methyldopamine (CHEBI:67378) is a guaiacols (CHEBI:134251)
N-trans-feruloyl-4'-O-methyldopamine (CHEBI:67378) is a secondary carboxamide (CHEBI:140325)
IUPAC Name 
(2E)-3-(4-hydroxy-3-methoxyphenyl)-N-[2-(3-hydroxy-4-methoxyphenyl)ethyl]prop-2-enamide
Registry NumbersSources
Reaxys:6982431Reaxys
Citations