caelestine C
AlkaPlorer ID: AK070439
Synonym: None
IUPAC Name: 6-bromo-8-methoxy-4-oxo-1H-quinoline-2-carboxylic acid
Structure
SMILES: COC1=CC(Br)=CC2=C(O)C=C(C(=O)O)N=C12
InChI: InChI=1S/C11H8BrNO4/c1-17-9-3-5(12)2-6-8(14)4-7(11(15)16)13-10(6)9/h2-4H,1H3,(H,13,14)(H,15,16)
InChIKey: YPWADPOJPOTNKI-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 298.092
TPSA？: 79.65
MolLogP？: 2.4097
Number of H-Donors: 2
Number of H-Acceptors: 4
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 | 40.0 | % | 10.1021/np100329w |
| Homo sapiens | MM96L | Inhibition | 54.0 | % | 10.1021/np100329w |
| Homo sapiens | NFF | Inhibition | 58.0 | % | 10.1021/np100329w |
| Pseudomonas aeruginosa | Pseudomonas aeruginosa | Activity | nan | None | 10.1021/np100329w |
| Staphylococcus aureus | Staphylococcus aureus | Activity | nan | None | 10.1021/np100329w |