Methyl 4,12-dimethyl-10,11-dioxo-2-oxatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),6,8-pentaene-8-carboxylate
| Internal ID | 317a2e92-acac-474d-bf06-f3ee698d4721 |
| Taxonomy | Benzenoids > Naphthalenes > Naphthalenecarboxylic acids and derivatives |
| IUPAC Name | methyl 4,12-dimethyl-10,11-dioxo-2-oxatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),6,8-pentaene-8-carboxylate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C16H12O5/c1-7-6-21-15-8(2)13(17)14(18)11-10(16(19)20-3)5-4-9(7)12(11)15/h4-6H,1-3H3 |
| InChI Key | REFHAZQNBXROMT-UHFFFAOYSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C16H12O5 |
| Molecular Weight | 284.26 g/mol |
| Exact Mass | 284.06847348 g/mol |
| Topological Polar Surface Area (TPSA) | 69.70 Ų |
| XlogP | 1.50 |
| There are no found synonyms. |
![2D Structure of Methyl 4,12-dimethyl-10,11-dioxo-2-oxatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),6,8-pentaene-8-carboxylate](https://plantaedb.com/storage/docs/compounds/2023/11/d278bf60-8717-11ee-a799-eb195485850f.jpg "2D Structure of Methyl 4,12-dimethyl-10,11-dioxo-2-oxatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),6,8-pentaene-8-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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 94.94% | 98.95% |
| CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 89.05% | 81.11% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 88.70% | 94.73% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 86.09% | 96.67% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.89% | 94.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.65% | 99.23% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 85.19% | 91.49% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.84% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.95% | 95.56% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.19% | 90.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 81.11% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 80.05% | 91.11% |
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.
| Ulmus davidiana |
| PubChem | 10493278 |
| LOTUS | LTS0239616 |
| wikiData | Q105234706 |