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CHEBI:81478 - N1,N5,N10-tricaffeoyl spermidine

ChEBI IDCHEBI:81478
ChEBI NameN1,N5,N10-tricaffeoyl spermidine
Stars
ASCII NameN(1),N(5),N(10)-tricaffeoyl spermidine
DefinitionA spermidine hydroxycinnamic acid conjugate in which N-1, N-5 and N-10 of spermidine have formed amide bonds with a molecule each of caffeic acid.
Last Modified23 October 2024
DownloadsMolfile
FormulaC34H37N3O9
Net Charge0
Average Mass631.682
Monoisotopic Mass631.25298
SMILES[H]C(=Cc1ccc(O)c(O)c1)C(=O)NCCCCN(CCCNC(=O)C([H])=Cc1ccc(O)c(O)c1)C(=O)C([H])=Cc1ccc(O)c(O)c1
InChIInChI=1S/C34H37N3O9/c38-26-10-4-23(20-29(26)41)7-13-32(44)35-16-1-2-18-37(34(46)15-9-25-6-12-28(40)31(43)22-25)19-3-17-36-33(45)14-8-24-5-11-27(39)30(42)21-24/h4-15,20-22,38-43H,1-3,16-19H2,(H,35,44)(H,36,45)
InChIKeyZKNHGZHOGBDPIA-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Quercus alba (ncbitaxon:3513) pollen (BTO:0001097) PubMed (11470370)
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-tricaffeoyl spermidine (CHEBI:81478) has functional parent caffeic acid (CHEBI:36281)
N1,N5,N10-tricaffeoyl spermidine (CHEBI:81478) has role plant metabolite (CHEBI:76924)
N1,N5,N10-tricaffeoyl spermidine (CHEBI:81478) is a catechols (CHEBI:33566)
N1,N5,N10-tricaffeoyl spermidine (CHEBI:81478) is a enamide (CHEBI:51751)
N1,N5,N10-tricaffeoyl spermidine (CHEBI:81478) is a secondary carboxamide (CHEBI:140325)
N1,N5,N10-tricaffeoyl spermidine (CHEBI:81478) is a spermidine hydroxycinnamic acid conjugate (CHEBI:61233)
N1,N5,N10-tricaffeoyl spermidine (CHEBI:81478) is a tertiary carboxamide (CHEBI:140326)
Incoming Relation(s)
N1,N5,N10-tris-(E)-caffeoyl spermidine (CHEBI:232324) is a N1,N5,N10-tricaffeoyl spermidine (CHEBI:81478)
IUPAC Name 
3-(3,4-dihydroxyphenyl)-N-(4-{[3-(3,4-dihydroxyphenyl)prop-2-enoyl]amino}butyl)-N-(3-{[3-(3,4-dihydroxyphenyl)prop-2-enoyl]amino}propyl)prop-2-enamide
Synonyms  Source
tricaffeoyl spermidineMetaCyc
tri-caffeoylspermidineChEBI
Manual XrefsDatabases
C18070KEGG COMPOUND
CPD-12213MetaCyc
FDB031226FooDB
HMDB0304517HMDB
Citations