2-undecyl-4-quinolone
AlkaPlorer ID: AK005738
Synonym: None
IUPAC Name: 2-undecyl-1H-quinolin-4-one
Structure
SMILES: CCCCCCCCCCCC1=CC(=O)C2=CC=CC=C2N1
InChI: InChI=1S/C20H29NO/c1-2-3-4-5-6-7-8-9-10-13-17-16-20(22)18-14-11-12-15-19(18)21-17/h11-12,14-16H,2-10,13H2,1H3,(H,21,22)
InChIKey: KKSIGOUTTVXAKQ-UHFFFAOYSA-N
Reference
Alkaloide und Cumarine aus Ruta graveolens
Alkaloids and Coumarins from Ruta graveolens
PubChem CID: 10063343
CAS: 56183-46-1
LOTUS: LTS0086806
COCONUT: CNP0187441
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Ruta graveolens | Ruta | Rutaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Ptelea trifoliata | Ptelea | Rutaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 299.458
TPSA？: 32.86
MolLogP？: 5.601400000000005
Number of H-Donors: 1
Number of H-Acceptors: 1
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Cathepsin L | IC50 | 2900.0 | nM | 10.1016/j.ejmech.2012.04.002 |
| Homo sapiens | Cathepsin L2 | IC50 | 9900.0 | nM | 10.1016/j.ejmech.2012.04.002 |
| None | Unchecked | Ratio IC50 | 0.3 | None | 10.1016/j.ejmech.2012.04.002 |