(2R,8R,13S)-13-(furan-3-yl)-8-hydroxy-11-methyl-4,14-dioxatetracyclo[8.7.0.02,6.012,16]heptadeca-1(17),6,10,12(16)-tetraene-5,15-dione
| Internal ID | 5f6b3b21-daf0-48a4-ad1a-bbba4b1b5612 |
| Taxonomy | Organoheterocyclic compounds > Benzofurans > Benzofuranones |
| IUPAC Name | (2R,8R,13S)-13-(furan-3-yl)-8-hydroxy-11-methyl-4,14-dioxatetracyclo[8.7.0.02,6.012,16]heptadeca-1(17),6,10,12(16)-tetraene-5,15-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C20H16O6/c1-9-12-4-11(21)5-14-16(8-25-19(14)22)13(12)6-15-17(9)18(26-20(15)23)10-2-3-24-7-10/h2-3,5-7,11,16,18,21H,4,8H2,1H3/t11-,16-,18-/m1/s1 |
| InChI Key | XYDSFEQOFYTNPI-XNAIMREJSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C20H16O6 |
| Molecular Weight | 352.30 g/mol |
| Exact Mass | 352.09468823 g/mol |
| Topological Polar Surface Area (TPSA) | 86.00 Ų |
| XlogP | 1.90 |
| There are no found synonyms. |
![2D Structure of (2R,8R,13S)-13-(furan-3-yl)-8-hydroxy-11-methyl-4,14-dioxatetracyclo[8.7.0.02,6.012,16]heptadeca-1(17),6,10,12(16)-tetraene-5,15-dione](https://plantaedb.com/storage/docs/compounds/2023/11/bc2628d0-8756-11ee-88b0-f131d8f3c9ed.jpg "2D Structure of (2R,8R,13S)-13-(furan-3-yl)-8-hydroxy-11-methyl-4,14-dioxatetracyclo[8.7.0.02,6.012,16]heptadeca-1(17),6,10,12(16)-tetraene-5,15-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 |
|---|---|---|---|---|
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 99.22% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.02% | 98.95% |
| CHEMBL2039 | P27338 | Monoamine oxidase B | 97.89% | 92.51% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.29% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 96.11% | 91.49% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 95.20% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.08% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.20% | 86.33% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.51% | 99.23% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.21% | 97.09% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 83.90% | 94.80% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 82.98% | 100.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.57% | 94.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.82% | 95.89% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 80.91% | 96.09% |
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.
| Salvia leucantha |
| PubChem | 162908689 |
| LOTUS | LTS0126969 |
| wikiData | Q105344438 |