Methyl 2-[8-methoxy-1,4-dioxo-3-(2-oxopropyl)naphthalen-2-yl]acetate
| Internal ID | 05cb6642-7e11-4f37-9098-537eafe14798 |
| Taxonomy | Benzenoids > Naphthalenes > Naphthoquinones |
| IUPAC Name | methyl 2-[8-methoxy-1,4-dioxo-3-(2-oxopropyl)naphthalen-2-yl]acetate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C17H16O6/c1-9(18)7-11-12(8-14(19)23-3)17(21)15-10(16(11)20)5-4-6-13(15)22-2/h4-6H,7-8H2,1-3H3 |
| InChI Key | VXPCVUXQARGBMR-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C17H16O6 |
| Molecular Weight | 316.30 g/mol |
| Exact Mass | 316.09468823 g/mol |
| Topological Polar Surface Area (TPSA) | 86.70 Ų |
| XlogP | 0.80 |
| There are no found synonyms. |
![2D Structure of Methyl 2-[8-methoxy-1,4-dioxo-3-(2-oxopropyl)naphthalen-2-yl]acetate](https://plantaedb.com/storage/docs/compounds/2023/11/methyl-2-8-methoxy-14-dioxo-3-2-oxopropylnaphthalen-2-ylacetate.jpg "2D Structure of Methyl 2-[8-methoxy-1,4-dioxo-3-(2-oxopropyl)naphthalen-2-yl]acetate")
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 96.98% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.30% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.71% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.15% | 86.33% |
| CHEMBL2535 | P11166 | Glucose transporter | 89.48% | 98.75% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 89.31% | 96.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 88.11% | 85.14% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 85.12% | 82.69% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 84.28% | 91.11% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 82.65% | 97.21% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.25% | 99.23% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.25% | 94.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 81.62% | 99.17% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 81.52% | 96.67% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 80.45% | 93.03% |
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.
| Eleutherine bulbosa |
| PubChem | 162922634 |
| LOTUS | LTS0076525 |
| wikiData | Q105298662 |