1-(pyrazin-2-yl)ethan-1-one
AlkaPlorer ID: AK014666
Synonym: None
IUPAC Name: 1-pyrazin-2-ylethanone
Structure
SMILES: CC(=O)C1=CN=CC=N1
InChI: InChI=1S/C6H6N2O/c1-5(9)6-4-7-2-3-8-6/h2-4H,1H3
InChIKey: DBZAKQWXICEWNW-UHFFFAOYSA-N
Reference
Volatile compounds of <i>Polygala senega</i> L. var. <i>latifolia</i> Torrey et Gray roots
PubChem CID: 30914
CAS: 131922-02-6
LOTUS: LTS0140347
COCONUT: CNP0114026
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Polygala senega | Polygala | Polygalaceae | Fabales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 122.12699999999998
TPSA？: 42.85
MolLogP？: 0.6792
Number of H-Donors: 0
Number of H-Acceptors: 3
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Acinetobacter baumannii | Acinetobacter baumannii | Inhibition | 3.8 | % | 10.6019/CHEMBL4513160 |
| Mycobacterium tuberculosis variant bovis | Mycobacterium tuberculosis variant bovis | MIC50 | 5000000.0 | nM | 10.1016/j.bmc.2022.117046 |
| Pseudomonas aeruginosa | Pseudomonas aeruginosa | Inhibition | -4.5 | % | 10.6019/CHEMBL4513160 |
| Pseudomonas aeruginosa | Pseudomonas aeruginosa | Inhibition | 5.7 | % | 10.6019/CHEMBL4513160 |
| None | Molecular identity unknown | Activity | 53.2 | nmol/min/mg | 10.1016/j.bmc.2023.117255 |
| None | Molecular identity unknown | Activity | 185.0 | nmol/min/mg | 10.1016/j.bmc.2023.117255 |
| None | Unchecked | Percent Effect | -10.21 | % | 10.6019/CHEMBL3988442 |
| None | Unchecked | Percent Effect | -2.578 | % | 10.6019/CHEMBL3988442 |
| None | Unchecked | Percent Effect | 2.642 | % | 10.6019/CHEMBL3988442 |