3-[[3-Methoxy-4,5-bis(trimethylsilyloxy)phenyl]methyl]-4-[(3-methoxy-4-trimethylsilyloxyphenyl)methyl]oxolan-2-one
| Internal ID | a9f09930-215c-4cb6-9b00-cd28891e763c |
| Taxonomy | Lignans, neolignans and related compounds > Furanoid lignans > Tetrahydrofuran lignans > 9,9-epoxylignans > Dibenzylbutyrolactone lignans |
| IUPAC Name | 3-[[3-methoxy-4,5-bis(trimethylsilyloxy)phenyl]methyl]-4-[(3-methoxy-4-trimethylsilyloxyphenyl)methyl]oxolan-2-one |
| SMILES (Canonical) | COC1=C(C=CC(=C1)CC2COC(=O)C2CC3=CC(=C(C(=C3)O[Si](C)(C)C)O[Si](C)(C)C)OC)O[Si](C)(C)C |
| SMILES (Isomeric) | COC1=C(C=CC(=C1)CC2COC(=O)C2CC3=CC(=C(C(=C3)O[Si](C)(C)C)O[Si](C)(C)C)OC)O[Si](C)(C)C |
| InChI | InChI=1S/C29H46O7Si3/c1-31-25-16-20(12-13-24(25)34-37(3,4)5)14-22-19-33-29(30)23(22)15-21-17-26(32-2)28(36-39(9,10)11)27(18-21)35-38(6,7)8/h12-13,16-18,22-23H,14-15,19H2,1-11H3 |
| InChI Key | FHYCUWIIEMRFFI-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C29H46O7Si3 |
| Molecular Weight | 590.90 g/mol |
| Exact Mass | 590.25513341 g/mol |
| Topological Polar Surface Area (TPSA) | 72.40 Ų |
| XlogP | 0.00 |
| There are no found synonyms. |
![2D Structure of 3-[[3-Methoxy-4,5-bis(trimethylsilyloxy)phenyl]methyl]-4-[(3-methoxy-4-trimethylsilyloxyphenyl)methyl]oxolan-2-one](https://plantaedb.com/storage/docs/compounds/2023/11/29c62f80-81e0-11ee-ad0e-43cc8c091d52.jpg "2D Structure of 3-[[3-Methoxy-4,5-bis(trimethylsilyloxy)phenyl]methyl]-4-[(3-methoxy-4-trimethylsilyloxyphenyl)methyl]oxolan-2-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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.57% | 96.09% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 95.35% | 83.82% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.83% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.72% | 94.45% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.15% | 85.14% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.78% | 86.33% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 91.10% | 94.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 91.06% | 92.62% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.69% | 99.17% |
| CHEMBL3975 | P09467 | Fructose-1,6-bisphosphatase | 85.01% | 92.95% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 84.33% | 96.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.29% | 95.89% |
| CHEMBL2535 | P11166 | Glucose transporter | 84.09% | 98.75% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 83.75% | 97.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.27% | 95.56% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.56% | 95.89% |
| CHEMBL5747 | Q92793 | CREB-binding protein | 80.42% | 95.12% |
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.
| Juniperus phoenicea |
| PubChem | 122211995 |
| LOTUS | LTS0146349 |
| wikiData | Q104398915 |