N(1),N(5),N(10)-(E)-tri-p-coumaroylspermidine (CHEBI:232336)

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CHEBI:232336 - N¹,N⁵,N¹⁰-(E)-tri-p-coumaroylspermidine

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ChEBI ID	CHEBI:232336
ChEBI Name	N¹,N⁵,N¹⁰-(E)-tri-p-coumaroylspermidine
Stars
ASCII Name	N(1),N(5),N(10)-(E)-tri-p-coumaroylspermidine
Definition	A N¹,N⁵,N¹⁰-tri-p-coumaroyl spermidine in which the three double bonds adopt trans-configuration.
Last Modified	23 October 2024
Submitter	Adnan
Downloads	Molfile

Formula	C34H37N3O6
Net Charge	0
Average Mass	583.685
Monoisotopic Mass	583.26824
SMILES	O=C(/C=C/c1ccc(O)cc1)NCCCCN(CCCNC(=O)/C=C/c1ccc(O)cc1)C(=O)/C=C/c1ccc(O)cc1
InChI	InChI=1S/C34H37N3O6/c38-29-13-4-26(5-14-29)10-19-32(41)35-22-1-2-24-37(34(43)21-12-28-8-17-31(40)18-9-28)25-3-23-36-33(42)20-11-27-6-15-30(39)16-7-27/h4-21,38-40H,1-3,22-25H2,(H,35,41)(H,36,42)/b19-10+,20-11+,21-12+
InChIKey	PFDVWJCSCYDRMZ-AUCPOXKISA-N

Species of Metabolite	Component	Source	Comments
Carthamus tinctorius (ncbitaxon:4222)	-	PubMed (24055753)

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)
	N¹,N⁵,N¹⁰-(E)-tri-p-coumaroylspermidine (CHEBI:232336) has functional parent trans-4-coumaric acid (CHEBI:32374)
	N¹,N⁵,N¹⁰-(E)-tri-p-coumaroylspermidine (CHEBI:232336) has role plant metabolite (CHEBI:76924)
	N¹,N⁵,N¹⁰-(E)-tri-p-coumaroylspermidine (CHEBI:232336) is a N¹,N⁵,N¹⁰-tri-p-coumaroyl spermidine (CHEBI:61514)

IUPAC Name
(2E)-3-(4-hydroxyphenyl)-N-(4-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]amino}butyl)-N-(3-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]amino}propyl)prop-2-enamide

Synonyms	Source
(2E)-3-(4-hydroxyphenyl)-N-[4-[[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]amino]butyl]-N-[3-[[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]amino]propyl]-2-propenamide	ChEBI
N¹,N⁵,N¹⁰-(E)-tri-p-coumaroylspermidine	ChEBI
N¹,N⁵,N¹⁰-tri-p-(E)-coumaroylspermidine	ChEBI

UniProt Name	Source
N¹,N⁵,N¹⁰-tris[(E)-p-coumaroyl]spermidine	UniProt

Manual Xrefs	Databases
CPD-12212	MetaCyc

Registry Numbers	Sources
Reaxys:4240971	Reaxys
CAS:131086-78-7	ChEBI

Citations