Clausine K
AlkaPlorer ID: AK025692
Synonym: None
IUPAC Name: 2,7-dimethoxy-9H-carbazole-3-carboxylic acid
Structure
SMILES: COC1=CC=C2C(=C1)NC1=CC(OC)=C(C(=O)O)C=C12
InChI: InChI=1S/C15H13NO4/c1-19-8-3-4-9-10-6-11(15(17)18)14(20-2)7-13(10)16-12(9)5-8/h3-7,16H,1-2H3,(H,17,18)
InChIKey: LDKCHJXUOLZQQV-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Clausena excavata | Clausena | Rutaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 271.272
TPSA？: 71.55
MolLogP？: 3.0365
Number of H-Donors: 2
Number of H-Acceptors: 3
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Chlorocebus sabaeus | Vero | IC50 | 25000.0 | nM | 10.1007/s00044-007-9073-0 |
| Chlorocebus sabaeus | Vero | IC50 | 177500.0 | nM | 10.1021/np100654m |
| Homo sapiens | HepG2 | IC50 | 24400.0 | nM | 10.1016/j.ejmech.2011.10.047 |
| Homo sapiens | KB | IC50 | 200000.0 | nM | 10.1021/np100654m |
| Homo sapiens | NCI-H187 | IC50 | 138830.0 | nM | 10.1021/np100654m |
| Mycobacterium tuberculosis | Mycobacterium tuberculosis | MIC | 100.0 | ug.mL-1 | 10.1016/j.ejmech.2017.06.005 |
| Mycobacterium tuberculosis | Mycobacterium tuberculosis | MIC90 | 100.0 | ug.mL-1 | 10.1007/s00044-007-9073-0 |
| Mycobacterium tuberculosis | Mycobacterium tuberculosis | MIC90 | 128000.0 | nM | 10.1007/s00044-007-9073-0 |
| None | Unchecked | IC50 | 4600.0 | nM | 10.1016/j.ejmech.2021.113165 |
| None | Unchecked | Selectivity Index | 0.2 | None | 10.1007/s00044-007-9073-0 |