5-[(E)-3-hydroperoxy-3-methylbut-1-enyl]-4,6,7-trimethoxyfuro[2,3-b]quinoline
| Internal ID | 59086a91-aad6-4469-adf9-2c1ceea3d1bc |
| Taxonomy | Organoheterocyclic compounds > Quinolines and derivatives > Furanoquinolines |
| IUPAC Name | 5-[(E)-3-hydroperoxy-3-methylbut-1-enyl]-4,6,7-trimethoxyfuro[2,3-b]quinoline |
| SMILES (Canonical) | CC(C)(C=CC1=C2C(=CC(=C1OC)OC)N=C3C(=C2OC)C=CO3)OO |
| SMILES (Isomeric) | CC(C)(/C=C/C1=C2C(=CC(=C1OC)OC)N=C3C(=C2OC)C=CO3)OO |
| InChI | InChI=1S/C19H21NO6/c1-19(2,26-21)8-6-11-15-13(10-14(22-3)16(11)23-4)20-18-12(7-9-25-18)17(15)24-5/h6-10,21H,1-5H3/b8-6+ |
| InChI Key | TXLPSNHGAORPAF-SOFGYWHQSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C19H21NO6 |
| Molecular Weight | 359.40 g/mol |
| Exact Mass | 359.13688739 g/mol |
| Topological Polar Surface Area (TPSA) | 83.20 Ų |
| XlogP | 3.00 |
| There are no found synonyms. |
![2D Structure of 5-[(E)-3-hydroperoxy-3-methylbut-1-enyl]-4,6,7-trimethoxyfuro[2,3-b]quinoline](https://plantaedb.com/storage/docs/compounds/2023/11/5-e-3-hydroperoxy-3-methylbut-1-enyl-467-trimethoxyfuro23-bquinoline.jpg "2D Structure of 5-[(E)-3-hydroperoxy-3-methylbut-1-enyl]-4,6,7-trimethoxyfuro[2,3-b]quinoline")
| 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 |
|---|---|---|---|---|
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 96.63% | 96.00% |
| CHEMBL5747 | Q92793 | CREB-binding protein | 95.52% | 95.12% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.32% | 91.11% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 93.14% | 94.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.32% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.13% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.33% | 94.45% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 88.36% | 94.73% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.18% | 89.00% |
| CHEMBL5014 | O43353 | Serine/threonine-protein kinase RIPK2 | 87.52% | 86.79% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 87.12% | 85.14% |
| CHEMBL2716 | Q8WUI4 | Histone deacetylase 7 | 86.93% | 89.44% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 86.56% | 100.00% |
| CHEMBL4145 | Q9UKV0 | Histone deacetylase 9 | 85.70% | 85.49% |
| CHEMBL1907599 | P05556 | Integrin alpha-4/beta-1 | 85.47% | 92.86% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 85.16% | 93.65% |
| CHEMBL4829 | O00763 | Acetyl-CoA carboxylase 2 | 85.02% | 98.00% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 84.84% | 94.75% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 84.73% | 89.62% |
| CHEMBL5925 | P22413 | Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 | 83.61% | 92.38% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 83.37% | 96.90% |
| CHEMBL235 | P37231 | Peroxisome proliferator-activated receptor gamma | 82.80% | 95.39% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 82.48% | 96.09% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 82.23% | 95.83% |
| CHEMBL290 | Q13370 | Phosphodiesterase 3B | 81.46% | 94.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.40% | 99.17% |
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.
| Choisya ternata |
| PubChem | 23628585 |
| LOTUS | LTS0024687 |
| wikiData | Q105266834 |