Clauszoline K
AlkaPlorer ID: AK047097
Synonym: None
IUPAC Name: 7-methoxy-9H-carbazole-3-carbaldehyde
Structure
SMILES: COC1=CC=C2C(=C1)NC1=CC=C(C=O)C=C12
InChI: InChI=1S/C14H11NO2/c1-17-10-3-4-11-12-6-9(8-16)2-5-13(12)15-14(11)7-10/h2-8,15H,1H3
InChIKey: IBDBRUPJUXYODT-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Clausena harmandiana | Clausena | Rutaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 225.247
TPSA？: 42.09
MolLogP？: 3.1422000000000008
Number of H-Donors: 1
Number of H-Acceptors: 2
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Escherichia coli | Escherichia coli | MIC | 128.0 | ug.mL-1 | 10.1021/np3000365 |
| Homo sapiens | HepG2 | GI | nan | None | 10.1016/j.ejmech.2011.10.047 |
| Homo sapiens | HepG2 | IC50 | 4230.0 | nM | 10.1016/j.ejmech.2011.10.047 |
| Homo sapiens | KB | IC50 | nan | None | 10.1021/np3000365 |
| Homo sapiens | MCF7 | IC50 | nan | None | 10.1021/np3000365 |
| Homo sapiens | NCI-H187 | IC50 | nan | None | 10.1021/np3000365 |
| Mycobacterium tuberculosis | Mycobacterium tuberculosis | MIC90 | 128000.0 | nM | 10.1007/s00044-007-9073-0 |
| Salmonella enterica subsp. enterica serovar Typhimurium | Salmonella typhimurium | MIC | nan | None | 10.1021/np3000365 |
| Staphylococcus aureus | Staphylococcus aureus | MIC | 128.0 | ug.mL-1 | 10.1021/np3000365 |
| Staphylococcus aureus | Staphylococcus aureus | MIC | nan | None | 10.1021/np3000365 |
| None | ADMET | IC50 | 72500.0 | nM | 10.1016/j.ejmech.2011.10.047 |