N(1),N(5),N(10)-tri-(5-hydroxyferuloyl)-spermidine (CHEBI:81480)

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CHEBI:81480 - N¹,N⁵,N¹⁰-tri-(5-hydroxyferuloyl)-spermidine

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ChEBI ID	CHEBI:81480
ChEBI Name	N¹,N⁵,N¹⁰-tri-(5-hydroxyferuloyl)-spermidine
Stars
ASCII Name	N(1),N(5),N(10)-tri-(5-hydroxyferuloyl)-spermidine
Definition	A spermidine hydroxycinnamic acid conjugate in which N-1, N-5 and N-10 of spermidine have formed amide bonds with a molecule each of 5-hydroxyferulic acid.
Last Modified	23 October 2024
Downloads	Molfile

Formula	C37H43N3O12
Net Charge	0
Average Mass	721.760
Monoisotopic Mass	721.28467
SMILES	[H]C(=Cc1cc(O)c(O)c(OC)c1)C(=O)NCCCCN(CCCNC(=O)C([H])=Cc1cc(O)c(O)c(OC)c1)C(=O)C([H])=Cc1cc(O)c(O)c(OC)c1
InChI	InChI=1S/C37H43N3O12/c1-50-29-20-23(17-26(41)35(29)47)7-10-32(44)38-13-4-5-15-40(34(46)12-9-25-19-28(43)37(49)31(22-25)52-3)16-6-14-39-33(45)11-8-24-18-27(42)36(48)30(21-24)51-2/h7-12,17-22,41-43,47-49H,4-6,13-16H2,1-3H3,(H,38,44)(H,39,45)
InChIKey	YVLXSHWZFBDIEL-UHFFFAOYSA-N

ChEBI Ontology

Outgoing Relation(s)
	N¹,N⁵,N¹⁰-tri-(5-hydroxyferuloyl)-spermidine (CHEBI:81480) has functional parent 5-hydroxyferulic acid (CHEBI:20582)
	N¹,N⁵,N¹⁰-tri-(5-hydroxyferuloyl)-spermidine (CHEBI:81480) is a catechols (CHEBI:33566)
	N¹,N⁵,N¹⁰-tri-(5-hydroxyferuloyl)-spermidine (CHEBI:81480) is a enamide (CHEBI:51751)
	N¹,N⁵,N¹⁰-tri-(5-hydroxyferuloyl)-spermidine (CHEBI:81480) is a monomethoxybenzene (CHEBI:25235)
	N¹,N⁵,N¹⁰-tri-(5-hydroxyferuloyl)-spermidine (CHEBI:81480) is a secondary carboxamide (CHEBI:140325)
	N¹,N⁵,N¹⁰-tri-(5-hydroxyferuloyl)-spermidine (CHEBI:81480) is a spermidine hydroxycinnamic acid conjugate (CHEBI:61233)
	N¹,N⁵,N¹⁰-tri-(5-hydroxyferuloyl)-spermidine (CHEBI:81480) is a tertiary carboxamide (CHEBI:140326)
Incoming Relation(s)
Incoming Relation(s)	N¹,N⁵,N¹⁰-tri-((E)-5-hydroxyferuloyl)-spermidine (CHEBI:232335) is a N¹,N⁵,N¹⁰-tri-(5-hydroxyferuloyl)-spermidine (CHEBI:81480)

IUPAC Name
3-(3,4-dihydroxy-5-methoxyphenyl)-N-(4-{[3-(3,4-dihydroxy-5-methoxyphenyl)prop-2-enoyl]amino}butyl)-N-(3-{[3-(3,4-dihydroxy-5-methoxyphenyl)prop-2-enoyl]amino}propyl)prop-2-enamide

Synonyms	Source
N¹,N⁵,N¹⁰-tri-(hydroxyferuloyl)-spermidine	KEGG COMPOUND
N,N',N''-tris-(5-hydroxyferuloyl)spermidine	ChEBI

Manual Xrefs	Databases
C18072	KEGG COMPOUND
HMDB0304520	HMDB