(1S,2S,12R)-1-[2-(furan-3-yl)ethyl]-6,7,12-trimethyl-10-oxatricyclo[7.2.1.02,7]dodec-5-en-11-one
| Internal ID | 5515a369-d3a3-4593-8aca-370725e4d236 |
| Taxonomy | Organoheterocyclic compounds > Lactones > Gamma butyrolactones |
| IUPAC Name | (1S,2S,12R)-1-[2-(furan-3-yl)ethyl]-6,7,12-trimethyl-10-oxatricyclo[7.2.1.02,7]dodec-5-en-11-one |
| SMILES (Canonical) | CC1C2CC3(C(C1(C(=O)O2)CCC4=COC=C4)CCC=C3C)C |
| SMILES (Isomeric) | C[C@H]1C2CC3([C@@H]([C@@]1(C(=O)O2)CCC4=COC=C4)CCC=C3C)C |
| InChI | InChI=1S/C20H26O3/c1-13-5-4-6-17-19(13,3)11-16-14(2)20(17,18(21)23-16)9-7-15-8-10-22-12-15/h5,8,10,12,14,16-17H,4,6-7,9,11H2,1-3H3/t14-,16?,17-,19?,20+/m0/s1 |
| InChI Key | ZPVBIJINMBNDCY-MBMKECHWSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H26O3 |
| Molecular Weight | 314.40 g/mol |
| Exact Mass | 314.18819469 g/mol |
| Topological Polar Surface Area (TPSA) | 39.40 Ų |
| XlogP | 4.30 |
| There are no found synonyms. |
![2D Structure of (1S,2S,12R)-1-[2-(furan-3-yl)ethyl]-6,7,12-trimethyl-10-oxatricyclo[7.2.1.02,7]dodec-5-en-11-one](https://plantaedb.com/storage/docs/compounds/2023/11/1s2s12r-1-2-furan-3-ylethyl-6712-trimethyl-10-oxatricyclo721027dodec-5-en-11-one.jpg "2D Structure of (1S,2S,12R)-1-[2-(furan-3-yl)ethyl]-6,7,12-trimethyl-10-oxatricyclo[7.2.1.02,7]dodec-5-en-11-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 |
|---|---|---|---|---|
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 96.43% | 94.80% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.30% | 97.25% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.49% | 97.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.17% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.61% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.42% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.98% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.55% | 94.45% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.55% | 86.33% |
| CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 84.38% | 86.00% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 82.89% | 93.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.85% | 95.89% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.01% | 89.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.43% | 97.14% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.36% | 100.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.09% | 94.73% |
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.
| Ptychopetalum olacoides |
| PubChem | 163195063 |
| LOTUS | LTS0076549 |
| wikiData | Q105381242 |