Spermidine; N-(4-Hydroxy-3-methoxy-E-cinnamoyl), N',N''-bis(4-hydroxy-E-cinnamoyl)
AlkaPlorer ID: AK313899
Synonym: N5,N10-Di-p-coumaroyl-N1-feruloylspermidine, Keayanidine A
IUPAC Name: (E)-N-[4-[3-[[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]amino]propyl-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]amino]butyl]-3-(4-hydroxyphenyl)prop-2-enamide
Structure
SMILES: COC1=CC(/C=C/C(=O)NCCCN(CCCCNC(=O)/C=C/C2=CC=C(O)C=C2)C(=O)/C=C/C2=CC=C(O)C=C2)=CC=C1O
InChI: InChI=1S/C35H39N3O7/c1-45-32-25-28(9-17-31(32)41)11-19-34(43)37-22-4-24-38(35(44)20-12-27-7-15-30(40)16-8-27)23-3-2-21-36-33(42)18-10-26-5-13-29(39)14-6-26/h5-20,25,39-41H,2-4,21-24H2,1H3,(H,36,42)(H,37,43)/b18-10+,19-11+,20-12+
InChIKey: AIHILSJAGNUJAL-VTYMWEBBSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Microdesmis keayana | Microdesmis | Pandaceae | Malpighiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 613.7110000000002
TPSA？: 148.42999999999998
MolLogP？: 4.483300000000004
Number of H-Donors: 5
Number of H-Acceptors: 7
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| None | No relevant target | IC50 | 27900000.0 | nM | 10.1016/j.ejmech.2022.114600 |