Isovalerylpyrrothine
AlkaPlorer ID: AK159990
Synonym: None
IUPAC Name: 2-methyl-N-(4-methyl-5-oxodithiolo[4,3-b]pyrrol-6-yl)butanamide
Structure
SMILES: CCC(C)C(=O)NC1=C2SSC=C2N(C)C1=O
InChI: InChI=1S/C11H14N2O2S2/c1-4-6(2)10(14)12-8-9-7(5-16-17-9)13(3)11(8)15/h5-6H,4H2,1-3H3,(H,12,14)
InChIKey: QVTRVXIOOPJFEZ-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Saccharothrix algeriensis | Saccharothrix | Pseudonocardiaceae | Pseudonocardiales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 270.379
TPSA？: 51.1
MolLogP？: 2.597700000000001
Number of H-Donors: 1
Number of H-Acceptors: 5
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Agrobacterium tumefaciens | Agrobacterium tumefaciens | MIC | 100.0 | ug.mL-1 | 10.1021/np900808u |
| Bacillus subtilis | Bacillus subtilis | MIC | 40.0 | ug.mL-1 | 10.1021/np900808u |
| Candida albicans | Candida albicans | MIC | 75.0 | ug.mL-1 | 10.1021/np900808u |
| Escherichia coli | Escherichia coli | MIC | 100.0 | ug.mL-1 | 10.1021/np900808u |
| Fusarium culmorum | Fusarium culmorum | MIC | 40.0 | ug.mL-1 | 10.1021/np900808u |
| Fusarium equiseti | Fusarium equiseti | MIC | 50.0 | ug.mL-1 | 10.1021/np900808u |
| Fusarium graminearum | Fusarium graminearum | MIC | 100.0 | ug.mL-1 | 10.1021/np900808u |
| Fusarium oxysporum | Fusarium oxysporum | MIC | 75.0 | ug.mL-1 | 10.1021/np900808u |
| Fusarium verticillioides | Fusarium verticillioides | MIC | 100.0 | ug.mL-1 | 10.1021/np900808u |
| Heyndrickxia coagulans | Heyndrickxia coagulans | MIC | 40.0 | ug.mL-1 | 10.1021/np900808u |
| Klebsiella pneumoniae | Klebsiella pneumoniae | MIC | 100.0 | ug.mL-1 | 10.1021/np900808u |
| Listeria monocytogenes | Listeria monocytogenes | MIC | 100.0 | ug.mL-1 | 10.1021/np900808u |
| Micrococcus luteus | Micrococcus luteus | MIC | 100.0 | ug.mL-1 | 10.1021/np900808u |
| Penicillium expansum | Penicillium expansum | MIC | 40.0 | ug.mL-1 | 10.1021/np900808u |
| Pseudomonas aeruginosa | Pseudomonas aeruginosa | MIC | 100.0 | ug.mL-1 | 10.1021/np900808u |
| Saccharomyces cerevisiae | Saccharomyces cerevisiae | MIC | 20.0 | ug.mL-1 | 10.1021/np900808u |
| Salmonella enterica | Salmonella enterica | MIC | 100.0 | ug.mL-1 | 10.1021/np900808u |
| Staphylococcus aureus | Staphylococcus aureus | MIC | 100.0 | ug.mL-1 | 10.1021/np900808u |
| Umbelopsis ramanniana | Umbelopsis ramanniana | MIC | 30.0 | ug.mL-1 | 10.1021/np900808u |
| None | NON-PROTEIN TARGET | MIC | 75.0 | ug.mL-1 | 10.1021/np900808u |