Claurailas A
AlkaPlorer ID: AK047051
Synonym: None
IUPAC Name: 1,7-dimethoxy-9H-carbazole-3-carbaldehyde
Structure
SMILES: COC1=CC=C2C(=C1)NC1=C(OC)C=C(C=O)C=C12
InChI: InChI=1S/C15H13NO3/c1-18-10-3-4-11-12-5-9(8-17)6-14(19-2)15(12)16-13(11)7-10/h3-8,16H,1-2H3
InChIKey: LEYWMXGGVZTHDM-UHFFFAOYSA-N
Reference
Claurailas A−D, Cytotoxic Carbazole Alkaloids from the Roots of <i>Clausena harmandiana</i>
PubChem CID: 51039825
LOTUS: LTS0011133
COCONUT: CNP0239722
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Clausena harmandiana | Clausena | Rutaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 255.273
TPSA？: 51.32
MolLogP？: 3.150800000000001
Number of H-Donors: 1
Number of H-Acceptors: 3
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Chlorocebus sabaeus | Vero | IC50 | 200000.0 | nM | 10.1021/np100654m |
| Homo sapiens | KB | IC50 | 200000.0 | nM | 10.1021/np100654m |
| Homo sapiens | NCI-H187 | IC50 | 13500.0 | nM | 10.1021/np100654m |