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CHEBI:85530 - N1,N8-bis(coumaroyl)spermidine

ChEBI IDCHEBI:85530
ChEBI NameN1,N8-bis(coumaroyl)spermidine
Stars
ASCII NameN(1),N(8)-bis(coumaroyl)spermidine
DefinitionA secondary amino compound that is spermidine in which each of the primary amino groups has been mono-acylated by formal condensation with trans-coumaric acid.
Last Modified7 March 2018
SubmitterSteve
DownloadsMolfile
FormulaC25H31N3O4
Net Charge0
Average Mass437.540
Monoisotopic Mass437.23146
SMILESO=C(/C=C/c1ccc(O)cc1)NCCCCNCCCNC(=O)/C=C/c1ccc(O)cc1
InChIInChI=1S/C25H31N3O4/c29-22-10-4-20(5-11-22)8-14-24(31)27-18-2-1-16-26-17-3-19-28-25(32)15-9-21-6-12-23(30)13-7-21/h4-15,26,29-30H,1-3,16-19H2,(H,27,31)(H,28,32)/b14-8+,15-9+
InChIKeyQYBCBMVQSCJMSA-VOMDNODZSA-N
Species of MetaboliteComponentSourceComments
Arabidopsis (ncbitaxon:3701) seed (BTO:0001226) PubMed (19168716)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
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,N8-bis(coumaroyl)spermidine (CHEBI:85530) has functional parent trans-4-coumaric acid (CHEBI:32374)
N1,N8-bis(coumaroyl)spermidine (CHEBI:85530) has functional parent spermidine (CHEBI:16610)
N1,N8-bis(coumaroyl)spermidine (CHEBI:85530) has role plant metabolite (CHEBI:76924)
N1,N8-bis(coumaroyl)spermidine (CHEBI:85530) is a enamide (CHEBI:51751)
N1,N8-bis(coumaroyl)spermidine (CHEBI:85530) is a polyphenol (CHEBI:26195)
N1,N8-bis(coumaroyl)spermidine (CHEBI:85530) is a secondary amino compound (CHEBI:50995)
N1,N8-bis(coumaroyl)spermidine (CHEBI:85530) is a secondary carboxamide (CHEBI:140325)
N1,N8-bis(coumaroyl)spermidine (CHEBI:85530) is conjugate base of N1,N8-bis(coumaroyl)spermidine(1+) (CHEBI:85007)
Incoming Relation(s)
N1,N8-bis(coumaroyl)spermidine(1+) (CHEBI:85007) is conjugate acid of N1,N8-bis(coumaroyl)spermidine (CHEBI:85530)
IUPAC Name 
(2E)-3-(4-hydroxyphenyl)-N-{3-[(4-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]amino}butyl)amino]propyl}prop-2-enamide
Registry NumbersSources
Reaxys:7391649Reaxys
Citations