5,6-Dihydro-2(1H)-pyridinone; 3S,4S-Epoxide, N-[3-(3,4-dimethoxyphenyl)propanoyl]
AlkaPlorer ID: AK295939
Synonym: Piplaroxide
IUPAC Name: 3-[3-(3,4-dimethoxyphenyl)propanoyl]-7-oxa-3-azabicyclo[4.1.0]heptan-2-one
Structure
SMILES: COC1=CC=C(CCC(=O)N2CCC3OC3C2=O)C=C1OC
InChI: InChI=1S/C16H19NO5/c1-20-11-5-3-10(9-13(11)21-2)4-6-14(18)17-8-7-12-15(22-12)16(17)19/h3,5,9,12,15H,4,6-8H2,1-2H3
InChIKey: ADMMSMMDSKVRQA-UHFFFAOYSA-N
Reference
Piplaroxide, an Ant-Repellent Piperidine Epoxide from <i>Piper tuberculatum</i>
PubChem CID: 10685995
LOTUS: LTS0103749
COCONUT: CNP0339155.1
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Piper tuberculatum | Piper | Piperaceae | Piperales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 305.33000000000004
TPSA？: 68.37
MolLogP？: 1.1626999999999998
Number of H-Donors: 0
Number of H-Acceptors: 5
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|