Tegerrardin A
AlkaPlorer ID: AK012833
Synonym: None
IUPAC Name: 3-hydroxy-1-methoxy-10-methylacridin-9-one
Structure
SMILES: COC1=CC(O)=CC2=C1C(=O)C1=CC=CC=C1N2C
InChI: InChI=1S/C15H13NO3/c1-16-11-6-4-3-5-10(11)15(18)14-12(16)7-9(17)8-13(14)19-2/h3-8,17H,1-2H3
InChIKey: UFEDIXBJQROJES-UHFFFAOYSA-N
Reference
PubChem CID: 16220278
CAS: 28333-06-4
LOTUS: LTS0011378
SuperNatural Ⅲ: SN0368808
COCONUT: CNP0225502
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Zanthoxylum leprieurii | Zanthoxylum | Rutaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 255.273
TPSA？: 51.46
MolLogP？: 2.4059
Number of H-Donors: 1
Number of H-Acceptors: 4
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | A549 | IC50 | 36000.0 | nM | 10.1016/j.bmc.2010.03.040 |
| Homo sapiens | DLD-1 | IC50 | 71000.0 | nM | 10.1016/j.bmc.2010.03.040 |
| Plasmodium falciparum | Plasmodium falciparum | IC50 | 12300.0 | nM | 10.1016/j.bmc.2009.02.050 |
| None | NON-PROTEIN TARGET | IC50 | 42000.0 | nM | 10.1016/j.bmc.2010.03.040 |