[(1S,2S,3S,5R,6S,7R,8S)-2-[2-(furan-3-yl)ethyl]-5,7,8-trihydroxy-2,3-dimethyl-4-oxo-11-oxatricyclo[5.3.2.01,6]dodecan-6-yl]methyl acetate
| Internal ID | 8467bc07-11f6-4ccf-913c-4ad03bfbc27e |
| Taxonomy | Organoheterocyclic compounds > Oxepanes |
| IUPAC Name | [(1S,2S,3S,5R,6S,7R,8S)-2-[2-(furan-3-yl)ethyl]-5,7,8-trihydroxy-2,3-dimethyl-4-oxo-11-oxatricyclo[5.3.2.01,6]dodecan-6-yl]methyl acetate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C22H30O8/c1-13-17(25)18(26)20(11-29-14(2)23)21(27)12-30-22(20,8-5-16(21)24)19(13,3)7-4-15-6-9-28-10-15/h6,9-10,13,16,18,24,26-27H,4-5,7-8,11-12H2,1-3H3/t13-,16+,18+,19+,20+,21-,22+/m1/s1 |
| InChI Key | LPNKZQQKFLRKNO-AWVSDTHSSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H30O8 |
| Molecular Weight | 422.50 g/mol |
| Exact Mass | 422.19406791 g/mol |
| Topological Polar Surface Area (TPSA) | 126.00 Ų |
| XlogP | 0.30 |
| There are no found synonyms. |
![2D Structure of [(1S,2S,3S,5R,6S,7R,8S)-2-[2-(furan-3-yl)ethyl]-5,7,8-trihydroxy-2,3-dimethyl-4-oxo-11-oxatricyclo[5.3.2.01,6]dodecan-6-yl]methyl acetate](https://plantaedb.com/storage/docs/compounds/2023/11/a9558d80-8607-11ee-bfa8-776a6293602e.jpg "2D Structure of [(1S,2S,3S,5R,6S,7R,8S)-2-[2-(furan-3-yl)ethyl]-5,7,8-trihydroxy-2,3-dimethyl-4-oxo-11-oxatricyclo[5.3.2.01,6]dodecan-6-yl]methyl acetate")
| 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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 98.77% | 97.25% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 97.54% | 83.82% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.68% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.46% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.37% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.48% | 98.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.02% | 97.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.19% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.89% | 89.00% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 87.38% | 94.80% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.54% | 95.89% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.84% | 100.00% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 83.77% | 97.28% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.79% | 95.56% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 82.32% | 82.69% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 81.66% | 93.00% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 81.49% | 95.93% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 81.45% | 94.00% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 81.09% | 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.
| Teucrium oliverianum |
| PubChem | 102372182 |
| LOTUS | LTS0006596 |
| wikiData | Q105155274 |