5,6-Dihydro-2(1H)-pyridinone; N-[3-(3,4,5-Trimethoxyphenyl)propanoyl]
AlkaPlorer ID: AK022280
Synonym: N-[3-(3,4,5-Trimethoxyphenyl)propanoyl]-5,6-dihydro-2(1H)-pyridinone, 8,9-Dihydropiplartine
IUPAC Name: 1-[3-(3,4,5-trimethoxyphenyl)propanoyl]-2,3-dihydropyridin-6-one
Structure
SMILES: COC1=CC(CCC(=O)N2CCC=CC2=O)=CC(OC)=C1OC
InChI: InChI=1S/C17H21NO5/c1-21-13-10-12(11-14(22-2)17(13)23-3)7-8-16(20)18-9-5-4-6-15(18)19/h4,6,10-11H,5,7-9H2,1-3H3
InChIKey: WAGZSQGCUXDBOA-UHFFFAOYSA-N
Reference
Amides from Piper tuberculatum fruits
PubChem CID: 613753
LOTUS: LTS0118637
SuperNatural Ⅲ: SN0404857
COCONUT: CNP0303709
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Piper rugosum | Piper | Piperaceae | Piperales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 319.3570000000001
TPSA？: 65.07000000000001
MolLogP？: 1.9601
Number of H-Donors: 0
Number of H-Acceptors: 5
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | WI-38 | EC50 | 46000.0 | nM | 10.1016/j.bmc.2018.06.013 |
| Homo sapiens | WI-38 | EC50 | 126000.0 | nM | 10.1016/j.bmc.2018.06.013 |
| Trypanosoma cruzi | Trypanosoma cruzi | IC50 | 30000.0 | nM | 10.1007/s00044-008-9161-9 |
| None | ADMET | Ratio EC50 | 2.7 | None | 10.1016/j.bmc.2018.06.013 |
| None | No relevant target | K | nan | None | 10.1016/j.ejmech.2016.11.034 |
| None | Unchecked | IC50 | 100000.0 | nM | 10.1016/j.ejmech.2016.11.034 |
| None | Unchecked | Inhibition | 23.8 | % | 10.1016/j.ejmech.2016.11.034 |