Molecule ID: 15270795

IUPAC Name: (E)-3-(4-hydroxyphenyl)-N-[4-[3-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]amino]propylamino]butyl]prop-2-enamide

Description: The molecule is a 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. It has a role as a plant metabolite. It is an enamide, a polyphenol, a secondary amino compound and a secondary carboxamide. It derives from a spermidine and a trans-4-coumaric acid. It is a conjugate base of a N(1),N(8)-bis(coumaroyl)spermidine(1+).

SMILES: OC(/C=C/c1ccc(O)cc1)=NCCCCNCCCN=C(O)/C=C/c1ccc(O)cc1

SELFIES: [O][C][Branch1][=C][/C][=C][/C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][=N][C][C][C][C][N][C][C][C][N][=C][Branch1][C][O][/C][=C][/C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1]

InChI: InChI=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+

Molecular Properties:
- Polar Surface Area: 111.0 Ų
- LogP: 3.0