5-Methoxy-3-methyl-1,3-dihydrobenzo[f][2]benzofuran-4,9-dione
| Internal ID | 3dfbad41-6259-416b-a75a-89d051ea9e07 |
| Taxonomy | Organoheterocyclic compounds > Naphthofurans |
| IUPAC Name | 5-methoxy-3-methyl-1,3-dihydrobenzo[f][2]benzofuran-4,9-dione |
| SMILES (Canonical) | CC1C2=C(CO1)C(=O)C3=C(C2=O)C(=CC=C3)OC |
| SMILES (Isomeric) | CC1C2=C(CO1)C(=O)C3=C(C2=O)C(=CC=C3)OC |
| InChI | InChI=1S/C14H12O4/c1-7-11-9(6-18-7)13(15)8-4-3-5-10(17-2)12(8)14(11)16/h3-5,7H,6H2,1-2H3 |
| InChI Key | BXPMMONOTGBDGA-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C14H12O4 |
| Molecular Weight | 244.24 g/mol |
| Exact Mass | 244.07355886 g/mol |
| Topological Polar Surface Area (TPSA) | 52.60 Ų |
| XlogP | 1.10 |
| There are no found synonyms. |
![2D Structure of 5-Methoxy-3-methyl-1,3-dihydrobenzo[f][2]benzofuran-4,9-dione](https://plantaedb.com/storage/docs/compounds/2023/11/5-methoxy-3-methyl-13-dihydrobenzof2benzofuran-49-dione.jpg "2D Structure of 5-Methoxy-3-methyl-1,3-dihydrobenzo[f][2]benzofuran-4,9-dione")
| 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 |
|---|---|---|---|---|
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.40% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.31% | 98.95% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 90.72% | 96.00% |
| CHEMBL4306 | P22460 | Voltage-gated potassium channel subunit Kv1.5 | 89.62% | 94.03% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 89.06% | 96.38% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.71% | 96.09% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 88.69% | 97.14% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.93% | 86.33% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.28% | 99.23% |
| CHEMBL2535 | P11166 | Glucose transporter | 86.91% | 98.75% |
| CHEMBL4247 | Q9UM73 | ALK tyrosine kinase receptor | 85.19% | 96.86% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.02% | 94.00% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 83.12% | 96.67% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 82.88% | 82.69% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 82.00% | 91.11% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.77% | 96.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.69% | 97.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.13% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.59% | 95.89% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.16% | 89.00% |
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.
| Sisyrinchium palmifolium |
| PubChem | 85899348 |
| LOTUS | LTS0082520 |
| wikiData | Q104948158 |