OntologiesslmclassesCHEBI:138028   
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N(1),N(8)-bis(caffeoyl)spermidineImported
http://purl.obolibrary.org/obo/CHEBI_138028

A secondary amino compound that is spermidine in which each of the primary amino groups has been mono-acylated by formal condensation with trans-caffeic acid.

Defined bychebi
Exact Synonyms
(2E)-3-(3,4-dihydroxyphenyl)-N-{3-[(4-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]amino}butyl)amino]propyl}prop-2-enamide
Related Synonyms
dicaffeoylspermidine
class Information
charge

0

formula

C25H31N3O6

has_dbxref
has_obo_namespace

chebi_ontology

inchi

InChI=1S/C25H31N3O6/c29-20-8-4-18(16-22(20)31)6-10-24(33)27-14-2-1-12-26-13-3-15-28-25(34)11-7-19-5-9-21(30)23(32)17-19/h4-11,16-17,26,29-32H,1-3,12-15H2,(H,27,33)(H,28,34)/b10-6+,11-7+

inchikey

OPJNODHFKFAIBH-JMQWPVDRSA-N

in_subset

3_STAR

mass

469.538

monoisotopicmass

469.22129

smiles

OC1=CC=C(\C=C\C(=O)NCCCNCCCCNC(=O)\C=C\C2=CC(O)=C(O)C=C2)C=C1O

class Relations