1-[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]-5,6-dihydropyridin-2-one
AlkaPlorer ID: AK422136
Synonym: None
IUPAC Name: 1-[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]-2,3-dihydropyridin-6-one
Structure
SMILES: COC1=CC(/C=C/C(=O)N2CCC=CC2=O)=CC(OC)=C1O
InChI: InChI=1S/C16H17NO5/c1-21-12-9-11(10-13(22-2)16(12)20)6-7-15(19)17-8-4-3-5-14(17)18/h3,5-7,9-10,20H,4,8H2,1-2H3/b7-6+
InChIKey: JJKQRSNEGCOSOC-VOTSOKGWSA-N
Reference
Cenocladamide, a dihydropyridone alkaloid from Piper cenocladum
PubChem CID: 15463390
LOTUS: LTS0007161
SuperNatural Ⅲ: SN0167096-01
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Piper cenocladum | Piper | Piperaceae | Piperales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 303.314
TPSA？: 76.07000000000001
MolLogP？: 1.7376999999999998
Number of H-Donors: 1
Number of H-Acceptors: 5
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | WI-38 | EC50 | 16100.0 | nM | 10.1016/j.bmc.2018.06.013 |
| Homo sapiens | WI-38 | EC50 | 34300.0 | nM | 10.1016/j.bmc.2018.06.013 |
| None | ADMET | Ratio EC50 | 2.1 | None | 10.1016/j.bmc.2018.06.013 |