Cassiarin A
AlkaPlorer ID: AK045909
Synonym: None
IUPAC Name: 3,7-dimethyl-2-oxa-6-azatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),7,9-pentaen-11-one
Structure
SMILES: CC1=CC2=NC(C)=CC3=CC(O)=CC(=C23)O1
InChI: InChI=1S/C13H11NO2/c1-7-3-9-5-10(15)6-12-13(9)11(14-7)4-8(2)16-12/h3-6,15H,1-2H3
InChIKey: PEFIRMBVFBVVGZ-UHFFFAOYSA-N
Reference
Cassiarins C−E, Antiplasmodial Alkaloids from the Flowers of <i>Cassia siamea</i>
LOTUS: LTS0119588
COCONUT: CNP0328851
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Senna siamea | Senna | Fabaceae | Fabales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 213.236
TPSA？: 42.35000000000001
MolLogP？: 3.0020200000000017
Number of H-Donors: 1
Number of H-Acceptors: 3
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Bos taurus | Calf thymus DNA | Tm | 70.7 | degrees C | 10.1016/j.bmcl.2014.04.107 |
| Homo sapiens | BT-474 | Activity | 20.0 | % | 10.1016/j.bmcl.2014.04.107 |
| Homo sapiens | HepG2 | Activity | 20.0 | % | 10.1016/j.bmcl.2014.04.107 |
| Homo sapiens | MCF7 | IC50 | 100000.0 | nM | 10.1016/j.bmc.2009.10.013 |
| Homo sapiens | SW-620 | Activity | 20.0 | % | 10.1016/j.bmcl.2014.04.107 |
| Plasmodium falciparum | Plasmodium falciparum | IC50 | 23.0 | nM | 10.1016/j.bmc.2009.10.013 |
| Plasmodium falciparum | Plasmodium falciparum | IC50 | 23.0 | nM | 10.1021/np9004213 |
| Rattus norvegicus | Aorta | Activity | nan | None | 10.1016/j.bmc.2009.10.013 |
| None | NON-PROTEIN TARGET | Activity | 20.0 | % | 10.1016/j.bmcl.2014.04.107 |
| None | Unchecked | Ratio IC50 | 4348.0 | None | 10.1016/j.bmc.2009.10.013 |