caelestine D
AlkaPlorer ID: AK101553
Synonym: None
IUPAC Name: 6,7-dibromo-8-methoxy-4-oxo-1H-quinoline-2-carboxylic acid
Structure
SMILES: COC1=C(Br)C(Br)=CC2=C1NC(C(=O)O)=CC2=O
InChI: InChI=1S/C11H7Br2NO4/c1-18-10-8(13)5(12)2-4-7(15)3-6(11(16)17)14-9(4)10/h2-3H,1H3,(H,14,15)(H,16,17)
InChIKey: LIJOWGSMOWBQHL-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 376.9880000000001
TPSA？: 79.39000000000001
MolLogP？: 2.7599
Number of H-Donors: 2
Number of H-Acceptors: 3
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Candida albicans | Candida albicans | Activity | nan | None | 10.1021/np100329w |
| Enterococcus faecalis | Enterococcus faecalis | Activity | nan | None | 10.1021/np100329w |
| Escherichia coli | Escherichia coli | Activity | nan | None | 10.1021/np100329w |
| Homo sapiens | MCF7 | Inhibition | 38.0 | % | 10.1021/np100329w |
| Homo sapiens | MM96L | Inhibition | 52.0 | % | 10.1021/np100329w |
| Homo sapiens | NFF | Inhibition | 68.0 | % | 10.1021/np100329w |
| Pseudomonas aeruginosa | Pseudomonas aeruginosa | Activity | nan | None | 10.1021/np100329w |
| Staphylococcus aureus | Staphylococcus aureus | Activity | nan | None | 10.1021/np100329w |