Carquinostatin A
AlkaPlorer ID: AK385232
Synonym: None
IUPAC Name: 1-(2-hydroxypropyl)-2-methyl-6-(3-methylbut-2-enyl)-9H-carbazole-3,4-dione
Structure
SMILES: CC(C)=CCC1=CC=C2NC3=C(C(=O)C(=O)C(C)=C3CC(C)O)C2=C1
InChI: InChI=1S/C21H23NO3/c1-11(2)5-6-14-7-8-17-16(10-14)18-19(22-17)15(9-12(3)23)13(4)20(24)21(18)25/h5,7-8,10,12,22-23H,6,9H2,1-4H3
InChIKey: GBIKJKJPENMVHL-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces exfoliatus | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 337.41900000000004
TPSA？: 70.16
MolLogP？: 3.9864000000000033
Number of H-Donors: 2
Number of H-Acceptors: 3
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| None | ADMET | Activity | nan | None | 10.1016/j.bmcl.2014.05.050 |
| None | No relevant target | Activity | 1182.0 | umol/L | 10.1016/j.bmcl.2014.05.050 |
| None | No relevant target | IC50 | 50000.0 | nM | 10.1016/j.bmcl.2014.05.050 |
| None | No relevant target | IC50 | 500000.0 | nM | 10.1016/j.bmcl.2014.05.050 |