None
AlkaPlorer ID: AK323452
Synonym: None
IUPAC Name: (2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoic acid
Structure
SMILES: CC(C)[C@@H](C(=O)O)N1CC2=CC=CC=C2C1=O
InChI: InChI=1S/C13H15NO3/c1-8(2)11(13(16)17)14-7-9-5-3-4-6-10(9)12(14)15/h3-6,8,11H,7H2,1-2H3,(H,16,17)/t11-/m0/s1
InChIKey: JULAETYRRYJIAR-NSHDSACASA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Hericium erinaceus | Hericium | Hericiaceae | Russulales | Agaricomycetes | Basidiomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 233.267
TPSA？: 57.61
MolLogP？: 1.7516
Number of H-Donors: 1
Number of H-Acceptors: 2
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Bacillus subtilis | Bacillus subtilis | MIC | 1620.0 | ug.mL-1 | 10.1016/s0960-894x(00)00306-1 |
| Bacteria | Bacteria | Activity | nan | None | 10.1016/s0960-894x(00)00306-1 |
| Escherichia coli | Escherichia coli | MIC | 1620.0 | ug.mL-1 | 10.1016/s0960-894x(00)00306-1 |
| Homo sapiens | A549 | IC50 | 89700.0 | nM | 10.1021/np5004388 |
| Homo sapiens | HeLa | IC50 | 100000.0 | nM | 10.1021/np5004388 |
| Kocuria rosea | Kocuria rosea | MIC | 1620.0 | ug.mL-1 | 10.1016/s0960-894x(00)00306-1 |
| Pseudomonas aeruginosa | Pseudomonas aeruginosa | MIC | 3600.0 | ug.mL-1 | 10.1016/s0960-894x(00)00306-1 |
| Staphylococcus aureus | Staphylococcus aureus | MIC | 3600.0 | ug.mL-1 | 10.1016/s0960-894x(00)00306-1 |
| None | NON-PROTEIN TARGET | Activity | nan | None | 10.1016/s0960-894x(00)00306-1 |
| None | Unchecked | IC50 | 200000.0 | nM | 10.1021/np5004388 |