(2S)-1-(4,7-dimethoxyfuro[2,3-b]quinolin-6-yl)oxy-3-methylbutane-2,3-diol
| Internal ID | 6efa7b32-dcc4-4965-96cb-4b545fd2f014 |
| Taxonomy | Organoheterocyclic compounds > Quinolines and derivatives > Furanoquinolines |
| IUPAC Name | (2S)-1-(4,7-dimethoxyfuro[2,3-b]quinolin-6-yl)oxy-3-methylbutane-2,3-diol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C18H21NO6/c1-18(2,21)15(20)9-25-14-7-11-12(8-13(14)22-3)19-17-10(5-6-24-17)16(11)23-4/h5-8,15,20-21H,9H2,1-4H3/t15-/m0/s1 |
| InChI Key | CODUJIFHJTUEBU-HNNXBMFYSA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C18H21NO6 |
| Molecular Weight | 347.40 g/mol |
| Exact Mass | 347.13688739 g/mol |
| Topological Polar Surface Area (TPSA) | 94.20 Ų |
| XlogP | 1.90 |
| There are no found synonyms. |
![2D Structure of (2S)-1-(4,7-dimethoxyfuro[2,3-b]quinolin-6-yl)oxy-3-methylbutane-2,3-diol](https://plantaedb.com/storage/docs/compounds/2023/11/2s-1-47-dimethoxyfuro23-bquinolin-6-yloxy-3-methylbutane-23-diol.jpg "2D Structure of (2S)-1-(4,7-dimethoxyfuro[2,3-b]quinolin-6-yl)oxy-3-methylbutane-2,3-diol")
| 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 | 95.79% | 95.12% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.04% | 96.09% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 93.05% | 94.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 92.32% | 96.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 91.26% | 85.14% |
| CHEMBL235 | P37231 | Peroxisome proliferator-activated receptor gamma | 90.99% | 95.39% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.54% | 91.11% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.35% | 99.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.83% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.15% | 98.95% |
| CHEMBL2535 | P11166 | Glucose transporter | 89.09% | 98.75% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 88.03% | 94.73% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 87.00% | 89.62% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 86.50% | 100.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.65% | 89.00% |
| CHEMBL4306 | P22460 | Voltage-gated potassium channel subunit Kv1.5 | 84.83% | 94.03% |
| CHEMBL290 | Q13370 | Phosphodiesterase 3B | 84.24% | 94.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 84.16% | 92.62% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 84.06% | 96.67% |
| CHEMBL5925 | P22413 | Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 | 83.98% | 92.38% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.87% | 95.56% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 83.28% | 95.56% |
| CHEMBL4145 | Q9UKV0 | Histone deacetylase 9 | 82.92% | 85.49% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 82.64% | 92.94% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 80.99% | 93.99% |
| CHEMBL2716 | Q8WUI4 | Histone deacetylase 7 | 80.33% | 89.44% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 80.04% | 92.68% |
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.
| Vepris afzelii |
| Vepris nobilis |
| Vepris suaveolens |
| PubChem | 25157866 |
| LOTUS | LTS0212768 |
| wikiData | Q104966748 |