CHEBI:175016 - Di-4-coumaroylputrescine

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ChEBI Name Di-4-coumaroylputrescine
ChEBI ID CHEBI:175016
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
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Formula C22H24N2O4
Net Charge 0
Average Mass 380.444
Monoisotopic Mass 380.17361
InChI InChI=1S/C22H24N2O4/c25-19-9-3-17(4-10-19)7-13-21(27)23-15-1-2-16-24-22(28)14-8-18-5-11-20(26)12-6-18/h3-14,25-26H,1-2,15-16H2,(H,23,27)(H,24,28)/b13-7+,14-8+
InChIKey PYVBFDCHJDMSMM-FNCQTZNRSA-N
SMILES O=C(NCCCCNC(=O)/C=C/C1=CC=C(O)C=C1)/C=C/C2=CC=C(O)C=C2
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Di-4-coumaroylputrescine (CHEBI:175016) is a hydroxycinnamic acid (CHEBI:24689)
IUPAC Name
(E)-3-(4-hydroxyphenyl)-N-[4-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]amino]butyl]prop-2-enamide
Manual Xrefs Databases
30777007 ChemSpider
HMDB0033466 HMDB
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Registry Number Type Source
364048-94-2 CAS Registry Number ChemIDplus