3-(2-Hydroxy-3-methylbut-3-enyl)-4,6,8-trimethoxy-1-methylquinolin-2-one
| Internal ID | d101be95-e6aa-41e3-bffd-f928749a1467 |
| Taxonomy | Organoheterocyclic compounds > Quinolines and derivatives > Quinolones and derivatives > Hydroquinolones |
| IUPAC Name | 3-(2-hydroxy-3-methylbut-3-enyl)-4,6,8-trimethoxy-1-methylquinolin-2-one |
| SMILES (Canonical) | CC(=C)C(CC1=C(C2=C(C(=CC(=C2)OC)OC)N(C1=O)C)OC)O |
| SMILES (Isomeric) | CC(=C)C(CC1=C(C2=C(C(=CC(=C2)OC)OC)N(C1=O)C)OC)O |
| InChI | InChI=1S/C18H23NO5/c1-10(2)14(20)9-13-17(24-6)12-7-11(22-4)8-15(23-5)16(12)19(3)18(13)21/h7-8,14,20H,1,9H2,2-6H3 |
| InChI Key | BPIVYUXQDVOPES-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H23NO5 |
| Molecular Weight | 333.40 g/mol |
| Exact Mass | 333.15762283 g/mol |
| Topological Polar Surface Area (TPSA) | 68.20 Ų |
| XlogP | 2.00 |
| There are no found synonyms. |
| 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 |
|---|---|---|---|---|
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 99.21% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.45% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.85% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.06% | 95.56% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 91.94% | 94.00% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 89.13% | 83.82% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 87.01% | 90.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.77% | 99.17% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 86.52% | 96.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.20% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.41% | 89.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 80.79% | 99.15% |
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.
| Ptelea trifoliata |
| PubChem | 101967150 |
| LOTUS | LTS0100394 |
| wikiData | Q104942433 |