2-methyl-heptyl isonicotinate
AlkaPlorer ID: AK009535
Synonym: None
IUPAC Name: [(2S)-2-methylheptyl] pyridine-4-carboxylate
Structure
SMILES: CCCCC[C@H](C)COC(=O)C1=CC=NC=C1
InChI: InChI=1S/C14H21NO2/c1-3-4-5-6-12(2)11-17-14(16)13-7-9-15-10-8-13/h7-10,12H,3-6,11H2,1-2H3/t12-/m0/s1
InChIKey: SJGJCJLSSXJWOR-LBPRGKRZSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | None | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 235.327
TPSA？: 39.19
MolLogP？: 3.4548000000000023
Number of H-Donors: 0
Number of H-Acceptors: 3
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Bacillus subtilis | Bacillus subtilis | MIC | 20.0 | ug.mL-1 | 10.1007/s00044-013-0488-5 |
| Bacillus subtilis | Bacillus subtilis | MIC | 20.0 | ug.mL-1 | 10.1016/j.bmcl.2004.04.025 |
| Colletotrichum musae | Colletotrichum musae | MFC | 30.0 | ug ml-1 | 10.1016/j.bmcl.2004.04.025 |
| Escherichia coli | Escherichia coli | MIC | 20.0 | ug.mL-1 | 10.1007/s00044-013-0488-5 |
| Escherichia coli | Escherichia coli | MIC | 40.0 | ug.mL-1 | 10.1016/j.bmcl.2004.04.025 |
| Mycobacterium tuberculosis | Mycobacterium tuberculosis | MIC | 14.0 | ug.mL-1 | 10.1007/s00044-013-0488-5 |
| Mycobacterium tuberculosis | Mycobacterium tuberculosis | MIC | 14.0 | ug.mL-1 | 10.1016/j.bmcl.2004.04.025 |
| Proteus vulgaris | Proteus vulgaris | MIC | 14.0 | ug.mL-1 | 10.1007/s00044-013-0488-5 |
| Proteus vulgaris | Proteus vulgaris | MIC | 14.0 | ug.mL-1 | 10.1016/j.bmcl.2004.04.025 |
| Thanatephorus cucumeris | Thanatephorus cucumeris | MFC | 32.0 | ug ml-1 | 10.1016/j.bmcl.2004.04.025 |