135-trihydroxy- 28-bis(3-methylbut-2-enyl)-10-methyl-9-acridone
AlkaPlorer ID: AK021904
Synonym: None
IUPAC Name: 1,3,5-trihydroxy-10-methyl-2,8-bis(3-methylbut-2-enyl)acridin-9-one
Structure
SMILES: CC(C)=CCC1=C(O)C=C2C(=C1O)C(=O)C1=C(CC=C(C)C)C=CC(O)=C1N2C
InChI: InChI=1S/C24H27NO4/c1-13(2)6-8-15-9-11-18(26)22-20(15)24(29)21-17(25(22)5)12-19(27)16(23(21)28)10-7-14(3)4/h6-7,9,11-12,26-28H,8,10H2,1-5H3
InChIKey: DYCRIHPNHAPQTH-UHFFFAOYSA-N
Reference
Acridone alkaloids as potent inhibitors of cathepsin V
PubChem CID: 10385901
LOTUS: LTS0275411
SuperNatural Ⅲ: SN0078603
COCONUT: CNP0271092
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Swinglea glutinosa | Swinglea | Rutaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 393.4830000000001
TPSA？: 82.69
MolLogP？: 4.825900000000004
Number of H-Donors: 3
Number of H-Acceptors: 5
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Cathepsin L2 | IC50 | 3900.0 | nM | 10.1016/j.bmc.2010.12.056 |
| Homo sapiens | Cathepsin L2 | Ki | 1200.0 | nM | 10.1016/j.bmc.2010.12.056 |
| Homo sapiens | HeLa | ED50 | 47.2 | uM | 10.1021/np0005762 |
| Homo sapiens | HeLa | ED50 | 52.2 | uM | 10.1021/np0005762 |
| Plasmodium falciparum | Plasmodium falciparum | IC50 | 5300.0 | nM | 10.1021/np0005762 |
| Plasmodium falciparum | Plasmodium falciparum | IC50 | 5600.0 | nM | 10.1021/np0005762 |
| Plasmodium falciparum | Plasmodium falciparum | IC50 | 7100.0 | nM | 10.1021/np0005762 |
| Plasmodium falciparum | Plasmodium falciparum | IC50 | 7900.0 | nM | 10.1021/np0005762 |
| None | Unchecked | Ratio | 9.0 | None | 10.1021/np0005762 |
| None | Unchecked | Ratio | 9.4 | None | 10.1021/np0005762 |