Claurailas D
AlkaPlorer ID: AK047063
Synonym: None
IUPAC Name: 9-hydroxy-3,3-dimethyl-7H-pyrano[2,3-c]carbazole-10-carbaldehyde
Structure
SMILES: CC1(C)C=CC2=C3C(=CC=C2O1)NC1=CC(O)=C(C=O)C=C13
InChI: InChI=1S/C18H15NO3/c1-18(2)6-5-11-16(22-18)4-3-13-17(11)12-7-10(9-20)15(21)8-14(12)19-13/h3-9,19,21H,1-2H3
InChIKey: FKVAMCZERBVNQE-UHFFFAOYSA-N
Reference
Claurailas A−D, Cytotoxic Carbazole Alkaloids from the Roots of <i>Clausena harmandiana</i>
PubChem CID: 51039828
LOTUS: LTS0259290
COCONUT: CNP0219303
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Clausena harmandiana | Clausena | Rutaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 293.32200000000006
TPSA？: 62.32
MolLogP？: 4.023400000000002
Number of H-Donors: 2
Number of H-Acceptors: 3
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Chlorocebus sabaeus | Vero | IC50 | 29390.0 | nM | 10.1021/np100654m |
| Escherichia coli | Escherichia coli | MIC | 64.0 | ug.mL-1 | 10.1021/np3000365 |
| Homo sapiens | KB | IC50 | 30550.0 | nM | 10.1021/np100654m |
| Homo sapiens | KB | IC50 | 293100.0 | nM | 10.1021/np3000365 |
| Homo sapiens | MCF7 | IC50 | 66100.0 | nM | 10.1021/np3000365 |
| Homo sapiens | NCI-H187 | IC50 | 7540.0 | nM | 10.1021/np100654m |
| Homo sapiens | NCI-H187 | IC50 | 60800.0 | nM | 10.1021/np3000365 |
| 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 |