7-(2-Hydroxypropan-2-yl)-10-methoxy-[1]benzofuro[5,6-f][1]benzofuran-5,9-dione
| Internal ID | 0cc579a2-a526-483b-bd8e-bbb04227c8eb |
| Taxonomy | Organoheterocyclic compounds > Naphthofurans |
| IUPAC Name | 7-(2-hydroxypropan-2-yl)-10-methoxy-[1]benzofuro[5,6-f][1]benzofuran-5,9-dione |
| SMILES (Canonical) | CC(C)(C1=CC2=C(O1)C(=O)C3=C(C2=O)C=C4C=COC4=C3OC)O |
| SMILES (Isomeric) | CC(C)(C1=CC2=C(O1)C(=O)C3=C(C2=O)C=C4C=COC4=C3OC)O |
| InChI | InChI=1S/C18H14O6/c1-18(2,21)11-7-10-13(19)9-6-8-4-5-23-15(8)17(22-3)12(9)14(20)16(10)24-11/h4-7,21H,1-3H3 |
| InChI Key | CIBGIXXWGAEWLV-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H14O6 |
| Molecular Weight | 326.30 g/mol |
| Exact Mass | 326.07903816 g/mol |
| Topological Polar Surface Area (TPSA) | 89.90 Ų |
| XlogP | 2.40 |
| There are no found synonyms. |
![2D Structure of 7-(2-Hydroxypropan-2-yl)-10-methoxy-[1]benzofuro[5,6-f][1]benzofuran-5,9-dione](https://plantaedb.com/storage/docs/compounds/2023/11/7-2-hydroxypropan-2-yl-10-methoxy-1benzofuro56-f1benzofuran-59-dione.jpg "2D Structure of 7-(2-Hydroxypropan-2-yl)-10-methoxy-[1]benzofuro[5,6-f][1]benzofuran-5,9-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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 97.19% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.60% | 91.11% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 94.45% | 94.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.28% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.12% | 95.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 90.73% | 99.23% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 88.61% | 93.65% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 88.28% | 94.73% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.72% | 89.00% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 85.68% | 96.67% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 83.70% | 91.49% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 83.29% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.84% | 99.17% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 82.63% | 100.00% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 80.40% | 86.92% |
| CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 80.16% | 80.78% |
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.
| Plumbago zeylanica |
| PubChem | 162977178 |
| LOTUS | LTS0080971 |
| wikiData | Q104959583 |