Glycocitrine-IV
AlkaPlorer ID: AK023738
Synonym: '', 'Glycocitrine IV'
IUPAC Name: 1,3,5-trihydroxy-4-methoxy-10-methyl-2-(3-methylbut-2-enyl)acridin-9-one
Structure
SMILES: COC1=C(O)C(CC=C(C)C)=C(O)C2=C1N(C)C1=C(O)C=CC=C1C2=O
InChI: InChI=1S/C20H21NO5/c1-10(2)8-9-12-18(24)14-16(20(26-4)19(12)25)21(3)15-11(17(14)23)6-5-7-13(15)22/h5-8,22,24-25H,9H2,1-4H3
InChIKey: GKBPFZFFEMNSRA-UHFFFAOYSA-N
Reference
Acridone alkaloids as potent inhibitors of cathepsin V
PubChem CID: 9998312
CAS: 262359-05-7
LOTUS: LTS0071849
SuperNatural Ⅲ: SN0107803
COCONUT: CNP0333293
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Glycosmis parviflora | Glycosmis | Rutaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 355.39000000000004
TPSA？: 91.92
MolLogP？: 3.325800000000002
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 | 2200.0 | nM | 10.1016/j.bmc.2010.12.056 |
| Homo sapiens | Cathepsin L2 | Ki | 1100.0 | nM | 10.1016/j.bmc.2010.12.056 |
| Homo sapiens | HeLa | ED50 | 0.71 | uM | 10.1021/np0005762 |
| Homo sapiens | HeLa | ED50 | 5.3 | uM | 10.1021/np0005762 |
| Plasmodium falciparum | Plasmodium falciparum | IC50 | 2000.0 | nM | 10.1021/np0005762 |
| Plasmodium falciparum | Plasmodium falciparum | IC50 | 2300.0 | nM | 10.1021/np0005762 |
| Plasmodium falciparum | Plasmodium falciparum | IC50 | 2500.0 | nM | 10.1021/np0005762 |
| None | Unchecked | Ratio | 0.3 | None | 10.1021/np0005762 |
| None | Unchecked | Ratio | 2.1 | None | 10.1021/np0005762 |