Megistonine I
| Internal ID | dfc15565-ffcb-47a4-b3a7-f0950a3dc1bf |
| Taxonomy | Organoheterocyclic compounds > Quinolines and derivatives > Quinolones and derivatives > Hydroquinolones |
| IUPAC Name | methyl 7-hydroxy-3-methoxy-1-methyl-8-(3-methylbut-2-enyl)-4-oxoquinoline-2-carboxylate |
| SMILES (Canonical) | CC(=CCC1=C(C=CC2=C1N(C(=C(C2=O)OC)C(=O)OC)C)O)C |
| SMILES (Isomeric) | CC(=CCC1=C(C=CC2=C1N(C(=C(C2=O)OC)C(=O)OC)C)O)C |
| InChI | InChI=1S/C18H21NO5/c1-10(2)6-7-11-13(20)9-8-12-14(11)19(3)15(18(22)24-5)17(23-4)16(12)21/h6,8-9,20H,7H2,1-5H3 |
| InChI Key | SFAKUCXCZOCMOD-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C18H21NO5 |
| Molecular Weight | 331.40 g/mol |
| Exact Mass | 331.14197277 g/mol |
| Topological Polar Surface Area (TPSA) | 76.10 Ų |
| XlogP | 3.50 |
| methyl 7-hydroxy-3-methoxy-1-methyl-8-(3-methylbut-2-enyl)-4-oxoquinoline-2-carboxylate |
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.17% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.13% | 94.45% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 96.38% | 91.49% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.11% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.07% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.13% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.93% | 86.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.74% | 99.17% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 84.97% | 85.14% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.49% | 90.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.40% | 94.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 83.02% | 99.15% |
| CHEMBL2535 | P11166 | Glucose transporter | 82.28% | 98.75% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 81.00% | 93.99% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.03% | 99.23% |
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.
| Sarcomelicope megistophylla |
| PubChem | 10806393 |
| LOTUS | LTS0121037 |
| wikiData | Q105251644 |