2-Heptyl-4-hydroxyquinoline
AlkaPlorer ID: AK003004
Synonym: None
IUPAC Name: 2-heptyl-1H-quinolin-4-one
Structure
SMILES: CCCCCCCC1=CC(=O)C2=CC=CC=C2N1
InChI: InChI=1S/C16H21NO/c1-2-3-4-5-6-9-13-12-16(18)14-10-7-8-11-15(14)17-13/h7-8,10-12H,2-6,9H2,1H3,(H,17,18)
InChIKey: UYRHHBXYXSYGHA-UHFFFAOYSA-N
Reference
Alkaloide und Cumarine aus Ruta graveolens
Alkaloids and Coumarins from Ruta graveolens
PubChem CID: 164974
CAS: 2503-80-2
LOTUS: LTS0229970
COCONUT: CNP0124800
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Haplophyllum griffithianum | Haplophyllum | Rutaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Ruta graveolens | Ruta | Rutaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 243.35
TPSA？: 32.86
MolLogP？: 4.041000000000002
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 | A2780 | IC50 | 35000.0 | nM | 10.1016/j.bmc.2017.06.017 |
| Homo sapiens | Glucose transporter | Inhibition | 12.74 | % | 10.6019/CHEMBL3433997 |
| Homo sapiens | HeLa | Activity | nan | None | 10.1021/acs.jnatprod.0c00026 |
| Homo sapiens | HepG2 | Inhibition | 5.0 | % | 10.1038/nature09107 |
| Leishmania mexicana | Glucose transporter | Inhibition | 1.21 | % | 10.6019/CHEMBL3433997 |
| Plasmodium falciparum | Hexose transporter 1 | Inhibition | 3.61 | % | 10.6019/CHEMBL3433997 |
| Plasmodium falciparum | Plasmodium falciparum | IC50 | 1315.0 | nM | 10.1016/j.bmc.2017.06.017 |
| Plasmodium falciparum | Plasmodium falciparum | IC50 | 1356.0 | nM | 10.1016/j.bmc.2017.06.017 |
| Plasmodium falciparum | Plasmodium falciparum | Inhibition | 1.0 | % | 10.1038/nature09107 |
| Plasmodium falciparum | Plasmodium falciparum | Inhibition | 94.0 | % | 10.1038/nature09107 |
| Plasmodium falciparum | Plasmodium falciparum | Inhibition | 96.0 | % | 10.1038/nature09107 |
| Plasmodium falciparum | Plasmodium falciparum | XC50 | 316.81 | nM | 10.1038/nature09107 |
| Staphylococcus aureus | Staphylococcus aureus | Activity | nan | None | 10.1021/acs.jnatprod.0c00026 |
| Staphylococcus epidermidis | Staphylococcus epidermidis | Activity | nan | None | 10.1021/acs.jnatprod.0c00026 |
| None | No relevant target | Solubility | 15000.0 | nM | 10.1016/j.ejmech.2014.04.016 |
| None | Unchecked | Activity | 0.75 | % | 10.1016/j.ejmech.2014.04.016 |
| None | Unchecked | IFI | 2.08 | % | 10.1038/nature09107 |
| None | Unchecked | Ratio IC50 | 26.6 | None | 10.1016/j.bmc.2017.06.017 |