Scolopendrine
| Internal ID | 4f64bfb9-ed5a-4a77-8d43-d6da379d55ef |
| Taxonomy | Organoheterocyclic compounds > Quinolines and derivatives > Quinolones and derivatives > Hydroquinolones |
| IUPAC Name | [7-[(4-hydroxy-3-methoxyphenyl)methyl]-3-methoxy-2-oxo-1H-quinolin-8-yl] hydrogen sulfate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C18H17NO8S/c1-25-14-8-10(3-6-13(14)20)7-12-5-4-11-9-15(26-2)18(21)19-16(11)17(12)27-28(22,23)24/h3-6,8-9,20H,7H2,1-2H3,(H,19,21)(H,22,23,24) |
| InChI Key | GAQLINTXWPLDAX-UHFFFAOYSA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C18H17NO8S |
| Molecular Weight | 407.40 g/mol |
| Exact Mass | 407.06748767 g/mol |
| Topological Polar Surface Area (TPSA) | 140.00 Ų |
| XlogP | 2.10 |
| SCHEMBL4209465 |
| [7-[(4-hydroxy-3-methoxyphenyl)methyl]-3-methoxy-2-oxo-1H-quinolin-8-yl] hydrogen sulfate |
| 7-(4-Hydroxy-3-methoxybenzyl)-3-methoxy-2-oxo-1,2-dihydroquinolin-8-yl hydrogen sulfate |
| 360550-09-0 |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| No proven targets yet! | |||||
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.50% | 95.56% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 93.85% | 94.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.45% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.10% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.90% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.70% | 91.11% |
| CHEMBL2535 | P11166 | Glucose transporter | 90.77% | 98.75% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 86.49% | 99.15% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.39% | 86.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.43% | 99.17% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 85.31% | 90.20% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 84.74% | 85.14% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 82.24% | 86.92% |
| CHEMBL1287628 | Q9Y5S8 | NADPH oxidase 1 | 81.50% | 95.48% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 81.39% | 94.73% |
| CHEMBL4145 | Q9UKV0 | Histone deacetylase 9 | 81.11% | 85.49% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
To see more specific details click the taxa you are interested in.
To see more specific details click the taxa you are interested in.
| There are no matching plants. |
| PubChem | 11047813 |
| LOTUS | LTS0091147 |
| wikiData | Q105005569 |