Cassiarin B
AlkaPlorer ID: AK045910
Synonym: None
IUPAC Name: methyl 4-(3,7-dimethyl-11-oxo-2-oxa-6-azatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),7,9-pentaen-6-yl)butanoate
Structure
SMILES: COC(=O)CCCN1C(C)=CC2=CC(=O)C=C3OC(C)=CC1=C23
InChI: InChI=1S/C18H19NO4/c1-11-7-13-9-14(20)10-16-18(13)15(8-12(2)23-16)19(11)6-4-5-17(21)22-3/h7-10H,4-6H2,1-3H3
InChIKey: OTLORQJLOJHVHW-UHFFFAOYSA-N
Reference
Cassiarins A and B, Novel Antiplasmodial Alkaloids from <i>Cassia siamea</i>
PubChem CID: 17756116
LOTUS: LTS0149275
SuperNatural Ⅲ: SN0274830
COCONUT: CNP0114806
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Senna siamea | Senna | Fabaceae | Fabales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 313.3530000000001
TPSA？: 61.44
MolLogP？: 3.3177400000000024
Number of H-Donors: 0
Number of H-Acceptors: 5
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | MCF7 | IC50 | 100000.0 | nM | 10.1016/j.bmc.2009.10.013 |
| Plasmodium falciparum | Plasmodium falciparum | IC50 | 22000.0 | nM | 10.1016/j.bmc.2009.10.013 |
| Rattus norvegicus | Aorta | Activity | nan | None | 10.1016/j.bmc.2009.10.013 |
| None | Unchecked | Ratio IC50 | 4.5 | None | 10.1016/j.bmc.2009.10.013 |