(2S)-3-chloro-1-(4,7-dimethoxyfuro[2,3-b]quinolin-6-yl)oxy-3-methylbutan-2-ol
| Internal ID | 111a80e1-3a2d-4b5d-a93d-c62d64d4f570 |
| Taxonomy | Organoheterocyclic compounds > Quinolines and derivatives > Furanoquinolines |
| IUPAC Name | (2S)-3-chloro-1-(4,7-dimethoxyfuro[2,3-b]quinolin-6-yl)oxy-3-methylbutan-2-ol |
| SMILES (Canonical) | CC(C)(C(COC1=C(C=C2C(=C1)C(=C3C=COC3=N2)OC)OC)O)Cl |
| SMILES (Isomeric) | CC(C)([C@H](COC1=C(C=C2C(=C1)C(=C3C=COC3=N2)OC)OC)O)Cl |
| InChI | InChI=1S/C18H20ClNO5/c1-18(2,19)15(21)9-25-14-7-11-12(8-13(14)22-3)20-17-10(5-6-24-17)16(11)23-4/h5-8,15,21H,9H2,1-4H3/t15-/m0/s1 |
| InChI Key | MBWWQHXJEXIFKG-HNNXBMFYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H20ClNO5 |
| Molecular Weight | 365.80 g/mol |
| Exact Mass | 365.1030004 g/mol |
| Topological Polar Surface Area (TPSA) | 74.00 Ų |
| XlogP | 3.20 |
| There are no found synonyms. |
![2D Structure of (2S)-3-chloro-1-(4,7-dimethoxyfuro[2,3-b]quinolin-6-yl)oxy-3-methylbutan-2-ol](https://plantaedb.com/storage/docs/compounds/2023/11/2s-3-chloro-1-47-dimethoxyfuro23-bquinolin-6-yloxy-3-methylbutan-2-ol.jpg "2D Structure of (2S)-3-chloro-1-(4,7-dimethoxyfuro[2,3-b]quinolin-6-yl)oxy-3-methylbutan-2-ol")
| 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 |
|---|---|---|---|---|
| CHEMBL5747 | Q92793 | CREB-binding protein | 94.55% | 95.12% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 93.37% | 94.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.89% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.75% | 96.09% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 90.96% | 89.62% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.80% | 86.33% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 90.76% | 96.00% |
| CHEMBL235 | P37231 | Peroxisome proliferator-activated receptor gamma | 89.99% | 95.39% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 89.62% | 100.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.24% | 99.17% |
| CHEMBL4306 | P22460 | Voltage-gated potassium channel subunit Kv1.5 | 87.56% | 94.03% |
| CHEMBL2535 | P11166 | Glucose transporter | 87.51% | 98.75% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.01% | 94.73% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 86.47% | 92.62% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 86.10% | 92.29% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 85.58% | 95.56% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 84.68% | 96.67% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.26% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 83.55% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.26% | 94.45% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.21% | 89.00% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 81.74% | 96.90% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 81.70% | 86.92% |
| CHEMBL290 | Q13370 | Phosphodiesterase 3B | 81.65% | 94.00% |
| CHEMBL2716 | Q8WUI4 | Histone deacetylase 7 | 81.62% | 89.44% |
| CHEMBL5925 | P22413 | Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 | 80.78% | 92.38% |
| CHEMBL4145 | Q9UKV0 | Histone deacetylase 9 | 80.70% | 85.49% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 80.30% | 99.15% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 80.22% | 85.14% |
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.
| Ertela trifolia |
| Vepris nobilis |
| PubChem | 162998818 |
| LOTUS | LTS0091984 |
| wikiData | Q105161010 |