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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
CHEBI:70431 - p-coumaroylputrescine
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ChEBI Ontology
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ChEBI Name
p-coumaroylputrescine
ChEBI ID
CHEBI:70431
Definition
A natural product found in
Buxus natalensis
and
Nicotiana tabacum
.
Stars
This entity has been manually annotated by a third party.
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Formula
C13H18N2O2
Net Charge
0
Average Mass
234.29420
Monoisotopic Mass
234.13683
InChI
InChI=1S/C13H18N2O2/c14-
9-
1-
2-
10-
15-
13(17)
8-
5-
11-
3-
6-
12(16)
7-
4-
11/h3-
8,16H,1-
2,9-
10,14H2,(H,15,17)
/b8-
5+
InChIKey
CJHDBEPXEKGBDW-VMPITWQZSA-N
SMILES
NCCCCNC(=O)\C=C\c1ccc(O)cc1
Metabolite of Species
Details
Buxus natalensis
(IPNI:128681-1)
Found in bark
(BTO:0001301)
. MeOH extract of pulverized bark See:
PubMed
Nicotiana tabacum
(NCBI:txid4097)
See:
PubMed
Roles Classification
Chemical Role
(s):
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Br
o
nsted base).
(via
oxoacid
)
Biological Role
(s):
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
p-coumaroylputrescine (
CHEBI:70431
)
has role
metabolite (
CHEBI:25212
)
p-coumaroylputrescine (
CHEBI:70431
)
is a
hydroxycinnamic acid (
CHEBI:24689
)
Synonym
Source
(E)-N-(4-aminobutyl)-3-(4-hydroxyphenyl)prop-2-enamide
ChEBI
Manual Xref
Database
C18326
KEGG COMPOUND
View more database links
Registry Number
Type
Source
34136-53-3
CAS Registry Number
KEGG COMPOUND
Citation
Type
Source
20954721
PubMed citation
Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17
Suggested Classification: ISA:cinnamamides(CHEBI:23247); ISA:olefinic compound(CHEBI:78840); ISA:styrenes(CHEBI:26799); ISA:phenols(CHEBI:33853); ISA:enol ether(CHEBI:47985); ISA:enone(CHEBI:51689); ISA:carboxamide(CHEBI:37622); ISA:organic heterocyclic compound(CHEBI:24532); ISA:organonitrogen compound(CHEBI:35352); ISA:carboxylic acid(CHEBI:33575); ISA:alkylamine(CHEBI:13759); ISA:carbonyl compound(CHEBI:36586); ISA:aromatic alcohol(CHEBI:33854);