Spermidine; N,N''-Bis(4-hydroxy-3-methoxy-E-cinnamoyl), N'-(4-hydroxy-E-cinnamoyl)
AlkaPlorer ID: AK313876
Synonym: N5-p-Coumaroyl-N1,N10-diferuloylspermidine, Keayanidine B
IUPAC Name: (E)-N-[4-[[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]amino]butyl]-N-[3-[[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]amino]propyl]-3-(4-hydroxyphenyl)prop-2-enamide
Structure
SMILES: COC1=CC(/C=C/C(=O)NCCCCN(CCCNC(=O)/C=C/C2=CC=C(O)C(OC)=C2)C(=O)/C=C/C2=CC=C(O)C=C2)=CC=C1O
InChI: InChI=1S/C36H41N3O8/c1-46-32-24-27(8-15-30(32)41)10-17-34(43)37-20-3-4-22-39(36(45)19-12-26-6-13-29(40)14-7-26)23-5-21-38-35(44)18-11-28-9-16-31(42)33(25-28)47-2/h6-19,24-25,40-42H,3-5,20-23H2,1-2H3,(H,37,43)(H,38,44)/b17-10+,18-11+,19-12+
InChIKey: PWXWJHMLUXVJPG-QUKKLUBMSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Microdesmis keayana | Microdesmis | Pandaceae | Malpighiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 643.7370000000003
TPSA？: 157.66
MolLogP？: 4.4919000000000056
Number of H-Donors: 5
Number of H-Acceptors: 8
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| None | No relevant target | IC50 | 31100000.0 | nM | 10.1016/j.ejmech.2022.114600 |