(1S,8S,10S,12R)-10-[(3R,5S)-5-(furan-2-yl)-2-oxooxolan-3-yl]-10,12-dimethyl-2,9-dioxatricyclo[6.3.1.04,12]dodec-4-en-3-one
| Internal ID | da09eb24-416e-4808-bc7f-b5600226f404 |
| Taxonomy | Organoheterocyclic compounds > Oxanes |
| IUPAC Name | (1S,8S,10S,12R)-10-[(3R,5S)-5-(furan-2-yl)-2-oxooxolan-3-yl]-10,12-dimethyl-2,9-dioxatricyclo[6.3.1.04,12]dodec-4-en-3-one |
| SMILES (Canonical) | CC1(CC2C3(C(O1)CCC=C3C(=O)O2)C)C4CC(OC4=O)C5=CC=CO5 |
| SMILES (Isomeric) | C[C@]1(C[C@H]2[C@]3([C@@H](O1)CCC=C3C(=O)O2)C)[C@H]4C[C@H](OC4=O)C5=CC=CO5 |
| InChI | InChI=1S/C20H22O6/c1-19(12-9-14(24-18(12)22)13-6-4-8-23-13)10-16-20(2)11(17(21)25-16)5-3-7-15(20)26-19/h4-6,8,12,14-16H,3,7,9-10H2,1-2H3/t12-,14-,15-,16-,19-,20+/m0/s1 |
| InChI Key | UUROAUSEDQYCBS-UBFQYYDPSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C20H22O6 |
| Molecular Weight | 358.40 g/mol |
| Exact Mass | 358.14163842 g/mol |
| Topological Polar Surface Area (TPSA) | 75.00 Ų |
| XlogP | 2.40 |
| There are no found synonyms. |
![2D Structure of (1S,8S,10S,12R)-10-[(3R,5S)-5-(furan-2-yl)-2-oxooxolan-3-yl]-10,12-dimethyl-2,9-dioxatricyclo[6.3.1.04,12]dodec-4-en-3-one](https://plantaedb.com/storage/docs/compounds/2023/11/afc68f40-8612-11ee-b34e-9b11938d286a.jpg "2D Structure of (1S,8S,10S,12R)-10-[(3R,5S)-5-(furan-2-yl)-2-oxooxolan-3-yl]-10,12-dimethyl-2,9-dioxatricyclo[6.3.1.04,12]dodec-4-en-3-one")
| 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 | 98.29% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.84% | 97.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.39% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.19% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.18% | 96.09% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 90.02% | 97.14% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 87.88% | 91.49% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.11% | 89.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.99% | 95.89% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 82.77% | 94.80% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.71% | 100.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 82.21% | 98.95% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.73% | 94.00% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 80.80% | 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.
| Syzygiella autumnalis |
| PubChem | 100969343 |
| LOTUS | LTS0134370 |
| wikiData | Q105279555 |