(3S)-3beta-(3-Furyl)-4alpha-hydroxy-7alpha,5alpha-(epoxymethano)-5-methyl-3,4,5,6,7,8-hexahydro-1H-2-benzopyran-1,10-dione
| Internal ID | aa9a2da0-4a3b-41a0-951c-568b3061d880 |
| Taxonomy | Organoheterocyclic compounds > Pyrans > Pyranones and derivatives > Dihydropyranones |
| IUPAC Name | (1R,3R,4S,9R)-4-(furan-3-yl)-3-hydroxy-1-methyl-5,10-dioxatricyclo[7.2.1.02,7]dodec-2(7)-ene-6,11-dione |
| SMILES (Canonical) | CC12CC(CC3=C1C(C(OC3=O)C4=COC=C4)O)OC2=O |
| SMILES (Isomeric) | C[C@@]12C[C@@H](CC3=C1[C@H]([C@@H](OC3=O)C4=COC=C4)O)OC2=O |
| InChI | InChI=1S/C15H14O6/c1-15-5-8(20-14(15)18)4-9-10(15)11(16)12(21-13(9)17)7-2-3-19-6-7/h2-3,6,8,11-12,16H,4-5H2,1H3/t8-,11-,12+,15-/m1/s1 |
| InChI Key | NSPFPSMQFNYBQM-UPSWMWPXSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H14O6 |
| Molecular Weight | 290.27 g/mol |
| Exact Mass | 290.07903816 g/mol |
| Topological Polar Surface Area (TPSA) | 86.00 Ų |
| XlogP | 0.10 |
| 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 | 94.43% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 93.85% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.64% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.90% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.41% | 97.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.04% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.31% | 89.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.25% | 99.23% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 85.32% | 90.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.80% | 86.33% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.90% | 94.45% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 81.81% | 91.49% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.57% | 97.14% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.54% | 100.00% |
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.
| Morus cathayana |
| PubChem | 21669397 |
| LOTUS | LTS0195205 |
| wikiData | Q105187354 |