3,9-Diheptyl-8-hydroxy-7-methoxydibenzofuran-1,2-dione
| Internal ID | 61035789-82c9-4e46-ae7d-42c18ceda2c2 |
| Taxonomy | Organoheterocyclic compounds > Benzofurans |
| IUPAC Name | 3,9-diheptyl-8-hydroxy-7-methoxydibenzofuran-1,2-dione |
| SMILES (Canonical) | CCCCCCCC1=CC2=C(C3=C(C(=C(C=C3O2)OC)O)CCCCCCC)C(=O)C1=O |
| SMILES (Isomeric) | CCCCCCCC1=CC2=C(C3=C(C(=C(C=C3O2)OC)O)CCCCCCC)C(=O)C1=O |
| InChI | InChI=1S/C27H36O5/c1-4-6-8-10-12-14-18-16-20-24(27(30)25(18)28)23-19(15-13-11-9-7-5-2)26(29)22(31-3)17-21(23)32-20/h16-17,29H,4-15H2,1-3H3 |
| InChI Key | QGMORYWRAWWOQE-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C27H36O5 |
| Molecular Weight | 440.60 g/mol |
| Exact Mass | 440.25627424 g/mol |
| Topological Polar Surface Area (TPSA) | 76.70 Ų |
| XlogP | 8.60 |
| There are no found synonyms. |
| 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 | 98.82% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.47% | 98.95% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 95.48% | 89.63% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.11% | 99.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.93% | 86.33% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 91.97% | 94.73% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.67% | 95.56% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 90.41% | 92.08% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 89.94% | 94.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.34% | 89.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 88.89% | 96.95% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 88.17% | 90.71% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.25% | 94.45% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 86.21% | 97.21% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 85.87% | 96.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.81% | 99.23% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 82.38% | 100.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 81.81% | 96.09% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 81.61% | 95.17% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 80.83% | 93.99% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 80.50% | 96.90% |
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.
| Lysimachia fordiana |
| PubChem | 162987122 |
| LOTUS | LTS0136384 |
| wikiData | Q105220425 |