Citrusinine-II
AlkaPlorer ID: AK013453
Synonym: '', 'Citrusinine II'
IUPAC Name: 1,3,5-trihydroxy-4-methoxy-10-methylacridin-9-one
Structure
SMILES: COC1=C(O)C=C(O)C2=C1N(C)C1=C(O)C=CC=C1C2=O
InChI: InChI=1S/C15H13NO5/c1-16-12-7(4-3-5-8(12)17)14(20)11-9(18)6-10(19)15(21-2)13(11)16/h3-6,17-19H,1-2H3
InChIKey: QEGXAAUCDUFHPJ-UHFFFAOYSA-N
Reference
Acridone alkaloids as potent inhibitors of cathepsin V
PubChem CID: 10016895
CAS: 86680-33-3
LOTUS: LTS0138333
SuperNatural Ⅲ: SN0303040
COCONUT: CNP0356454
data_source: manually
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 287.271
TPSA？: 91.92
MolLogP？: 1.8170999999999995
Number of H-Donors: 3
Number of H-Acceptors: 6
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Cathepsin L2 | IC50 | 10000.0 | nM | 10.1016/j.bmc.2010.12.056 |
| Homo sapiens | Cathepsin L2 | Ki | 4200.0 | nM | 10.1016/j.bmc.2010.12.056 |
| Homo sapiens | COLO 205 | ED50 | nan | None | 10.1021/np0005309 |
| Homo sapiens | HeLa | ED50 | 16.8 | uM | 10.1021/np0005762 |
| Homo sapiens | HeLa | ED50 | 35.1 | uM | 10.1021/np0005762 |
| Homo sapiens | KB | ED50 | 0.82 | ug ml-1 | 10.1021/np0005309 |
| Plasmodium falciparum | Plasmodium falciparum | IC50 | 20100.0 | nM | 10.1021/np0005762 |
| Plasmodium falciparum | Plasmodium falciparum | IC50 | 20500.0 | nM | 10.1021/np0005762 |
| Plasmodium falciparum | Plasmodium falciparum | IC50 | 27100.0 | nM | 10.1021/np0005762 |
| Plasmodium falciparum | Plasmodium falciparum | IC50 | 33000.0 | nM | 10.1021/np0005762 |
| None | NON-PROTEIN TARGET | ED50 | nan | None | 10.1021/np0005309 |
| None | Unchecked | Ratio | 0.5 | None | 10.1021/np0005762 |
| None | Unchecked | Ratio | 1.8 | None | 10.1021/np0005762 |