3-[[3-(Hydroxymethyl)-3-methyloxiran-2-yl]methyl]-4,8-dimethoxy-1-methylquinolin-2-one
| Internal ID | ff3af21a-55de-4066-a49d-9ab05898df6a |
| Taxonomy | Organoheterocyclic compounds > Quinolines and derivatives > Quinolones and derivatives > Hydroquinolones |
| IUPAC Name | 3-[[3-(hydroxymethyl)-3-methyloxiran-2-yl]methyl]-4,8-dimethoxy-1-methylquinolin-2-one |
| SMILES (Canonical) | CC1(C(O1)CC2=C(C3=C(C(=CC=C3)OC)N(C2=O)C)OC)CO |
| SMILES (Isomeric) | CC1(C(O1)CC2=C(C3=C(C(=CC=C3)OC)N(C2=O)C)OC)CO |
| InChI | InChI=1S/C17H21NO5/c1-17(9-19)13(23-17)8-11-15(22-4)10-6-5-7-12(21-3)14(10)18(2)16(11)20/h5-7,13,19H,8-9H2,1-4H3 |
| InChI Key | BZDFOMRJKPRVGA-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C17H21NO5 |
| Molecular Weight | 319.40 g/mol |
| Exact Mass | 319.14197277 g/mol |
| Topological Polar Surface Area (TPSA) | 71.50 Ų |
| XlogP | 0.70 |
| There are no found synonyms. |
![2D Structure of 3-[[3-(Hydroxymethyl)-3-methyloxiran-2-yl]methyl]-4,8-dimethoxy-1-methylquinolin-2-one](https://plantaedb.com/storage/docs/compounds/2023/11/3-3-hydroxymethyl-3-methyloxiran-2-ylmethyl-48-dimethoxy-1-methylquinolin-2-one.jpg "2D Structure of 3-[[3-(Hydroxymethyl)-3-methyloxiran-2-yl]methyl]-4,8-dimethoxy-1-methylquinolin-2-one")
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.50% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 97.33% | 95.56% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.25% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.27% | 98.95% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 94.54% | 94.00% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 94.26% | 93.99% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.26% | 86.33% |
| CHEMBL240 | Q12809 | HERG | 91.98% | 89.76% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.92% | 89.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 90.02% | 92.62% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.54% | 99.23% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.72% | 95.89% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.76% | 91.11% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 87.14% | 97.14% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 84.92% | 95.83% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 82.81% | 96.00% |
| CHEMBL4306 | P22460 | Voltage-gated potassium channel subunit Kv1.5 | 81.06% | 94.03% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.60% | 94.45% |
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.
| Zanthoxylum scandens |
| PubChem | 78384602 |
| LOTUS | LTS0187088 |
| wikiData | Q104950382 |