(E)-N-{5-hydroxy-[1,2]dithiolo[4,3-b]pyrrol-6-yl}-5-methylhexanimidic acid
AlkaPlorer ID: AK101730
Synonym: None
IUPAC Name: 5-methyl-N-(5-oxo-4H-dithiolo[4,3-b]pyrrol-6-yl)hexanamide
Structure
SMILES: CC(C)CCCC(O)=NC1=C2SSC=C2N=C1O
InChI: InChI=1S/C12H16N2O2S2/c1-7(2)4-3-5-9(15)14-10-11-8(6-17-18-11)13-12(10)16/h6-7H,3-5H2,1-2H3,(H,13,16)(H,14,15)
InChIKey: ZHGZIFCTZVOLMX-UHFFFAOYSA-N
Reference
PubChem CID: 185189
CAS: 92680-90-5
LOTUS: LTS0053486
NPASS: NPC486587
COCONUT: CNP0278946
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 284.406
TPSA？: 65.71000000000001
MolLogP？: 4.429300000000003
Number of H-Donors: 2
Number of H-Acceptors: 5
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Bacillus cereus | Bacillus cereus | MIC | 3.13 | ug.mL-1 | 10.1021/np50075a005 |
| Candida albicans | Candida albicans | MIC | 100.0 | ug.mL-1 | 10.1021/np50075a005 |
| Escherichia coli | Escherichia coli | MIC | 100.0 | ug.mL-1 | 10.1021/np50075a005 |
| Helicoverpa punctigera | Helicoverpa punctigera | Activity | 18.8 | % | 10.1021/np50075a005 |
| Helicoverpa punctigera | Helicoverpa punctigera | Activity | 64.7 | % | 10.1021/np50075a005 |
| Helicoverpa punctigera | Helicoverpa punctigera | Activity | 100.0 | % | 10.1021/np50075a005 |
| Helicoverpa punctigera | Helicoverpa punctigera | LC50 | 59.5 | ug.cm'-2 | 10.1021/np50075a005 |
| Micrococcus luteus | Micrococcus luteus | MIC | 0.156 | ug.mL-1 | 10.1021/np50075a005 |
| Proteus mirabilis | Proteus mirabilis | MIC | 100.0 | ug.mL-1 | 10.1021/np50075a005 |
| Pseudomonas aeruginosa | Pseudomonas aeruginosa | MIC | 100.0 | ug.mL-1 | 10.1021/np50075a005 |
| Salmonella enterica subsp. enterica serovar Typhimurium | Salmonella typhimurium | MIC | 100.0 | ug.mL-1 | 10.1021/np50075a005 |
| Shigella sonnei | Shigella sonnei | MIC | 100.0 | ug.mL-1 | 10.1021/np50075a005 |
| Staphylococcus aureus | Staphylococcus aureus | MIC | 20.0 | ug.mL-1 | 10.1021/np50075a005 |
| Streptococcus pyogenes | Streptococcus pyogenes | MIC | 1.25 | ug.mL-1 | 10.1021/np50075a005 |