Nb-Feruloyltryptamine (CHEBI:174537)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	Nb-Feruloyltryptamine

ChEBI ID	CHEBI:174537

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C20H20N2O3

Net Charge

Average Mass

336.391

Monoisotopic Mass

336.14739

InChI

InChI=1S/C20H20N2O3/c1-25-19-12-14(6-8-18(19)23)7-9-20(24)21-11-10-15-13-22-17-5-3-2-4-16(15)17/h2-9,12-13,22-23H,10-11H2,1H3,(H,21,24)/b9-7+

InChIKey

LWRQDNUXWLIWDB-VQHVLOKHSA-N

SMILES

O=C(NCCC=1C=2C(NC1)=CC=CC2)/C=C/C3=CC(OC)=C(O)C=C3

Roles Classification
Chemical Role(s):	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

ChEBI Ontology
Outgoing	Nb-Feruloyltryptamine (CHEBI:174537) is a hydroxycinnamic acid (CHEBI:24689)

IUPAC Name

(E)-3-(4-hydroxy-3-methoxyphenyl)-N-[2-(1H-indol-3-yl)ethyl]prop-2-enamide