2-Hydroxy-3-formyl-7-methoxycarbazole
AlkaPlorer ID: AK027914
Synonym: ''
IUPAC Name: 2-hydroxy-7-methoxy-9H-carbazole-3-carbaldehyde
Structure
SMILES: COC1=CC=C2C(=C1)NC1=CC(O)=C(C=O)C=C12
InChI: InChI=1S/C14H11NO3/c1-18-9-2-3-10-11-4-8(7-16)14(17)6-13(11)15-12(10)5-9/h2-7,15,17H,1H3
InChIKey: JLWFCPLXNANORV-UHFFFAOYSA-N
Reference
Alkaloidal and other constituents from the root bark of Clausena excavata
PubChem CID: 189687
CAS: 119736-83-3
LOTUS: LTS0021313
COCONUT: CNP0314163
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Clausena excavata | Clausena | Rutaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 241.246
TPSA？: 62.32
MolLogP？: 2.8478000000000003
Number of H-Donors: 2
Number of H-Acceptors: 3
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Artemia | Artemia | LC50 | 35.0 | ppm | 10.1021/np50060a044 |
| Chlorocebus sabaeus | Vero | IC50 | nan | None | 10.1016/j.bmc.2016.12.038 |
| Escherichia coli | Escherichia coli | MIC | nan | None | 10.1021/np3000365 |
| Homo sapiens | A549 | ED50 | 2.74 | ug ml-1 | 10.1021/np50060a044 |
| Homo sapiens | HepG2 | IC50 | 28600.0 | nM | 10.1016/j.ejmech.2011.10.047 |
| Homo sapiens | HT-29 | ED50 | 4.0 | ug ml-1 | 10.1021/np50060a044 |
| Homo sapiens | KB | IC50 | 181400.0 | nM | 10.1021/np3000365 |
| Homo sapiens | MCF7 | IC50 | 69100.0 | nM | 10.1021/np3000365 |
| Homo sapiens | NCI-H187 | IC50 | 45900.0 | nM | 10.1021/np3000365 |
| Mycobacterium tuberculosis | Mycobacterium tuberculosis | MIC | 25.0 | ug.mL-1 | 10.1016/j.ejmech.2017.06.005 |
| Mycobacterium tuberculosis | Mycobacterium tuberculosis | MIC | 100.0 | ug.mL-1 | 10.1016/j.ejmech.2017.06.005 |
| Mycobacterium tuberculosis | Mycobacterium tuberculosis | MIC90 | 24300.0 | nM | 10.1016/j.bmc.2016.12.038 |
| Salmonella enterica subsp. enterica serovar Typhimurium | Salmonella typhimurium | MIC | 128.0 | ug.mL-1 | 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 | NON-PROTEIN TARGET | ED50 | 4.48 | ug ml-1 | 10.1021/np50060a044 |
| None | NON-PROTEIN TARGET | ED50 | 5.7 | ug ml-1 | 10.1021/np50060a044 |
| None | NON-PROTEIN TARGET | ED50 | 10.0 | ug ml-1 | 10.1021/np50060a044 |