4-[Bis(7-methoxy-1,3-benzodioxol-5-yl)methyl]-3-(hydroxymethyl)oxolan-2-one
| Internal ID | 24bcd924-e7bd-4a9f-bb34-e7716a5b2862 |
| Taxonomy | Organoheterocyclic compounds > Benzodioxoles |
| IUPAC Name | 4-[bis(7-methoxy-1,3-benzodioxol-5-yl)methyl]-3-(hydroxymethyl)oxolan-2-one |
| SMILES (Canonical) | COC1=CC(=CC2=C1OCO2)C(C3COC(=O)C3CO)C4=CC5=C(C(=C4)OC)OCO5 |
| SMILES (Isomeric) | COC1=CC(=CC2=C1OCO2)C(C3COC(=O)C3CO)C4=CC5=C(C(=C4)OC)OCO5 |
| InChI | InChI=1S/C22H22O9/c1-25-15-3-11(5-17-20(15)30-9-28-17)19(14-8-27-22(24)13(14)7-23)12-4-16(26-2)21-18(6-12)29-10-31-21/h3-6,13-14,19,23H,7-10H2,1-2H3 |
| InChI Key | IOLQZNZXIUEYRV-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H22O9 |
| Molecular Weight | 430.40 g/mol |
| Exact Mass | 430.12638228 g/mol |
| Topological Polar Surface Area (TPSA) | 102.00 Ų |
| XlogP | 3.00 |
| There are no found synonyms. |
![2D Structure of 4-[Bis(7-methoxy-1,3-benzodioxol-5-yl)methyl]-3-(hydroxymethyl)oxolan-2-one](https://plantaedb.com/storage/docs/compounds/2023/11/4-bis7-methoxy-13-benzodioxol-5-ylmethyl-3-hydroxymethyloxolan-2-one.jpg "2D Structure of 4-[Bis(7-methoxy-1,3-benzodioxol-5-yl)methyl]-3-(hydroxymethyl)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 | 97.30% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.73% | 91.11% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 96.19% | 96.77% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.28% | 98.95% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 92.99% | 92.62% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.95% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.78% | 94.45% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 88.74% | 89.50% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 88.16% | 96.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 87.92% | 85.14% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.53% | 86.33% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.00% | 97.09% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 85.94% | 94.80% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 85.22% | 96.61% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 85.10% | 95.89% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.07% | 89.00% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 84.91% | 97.25% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 83.67% | 97.14% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.19% | 94.00% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 81.89% | 83.82% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 81.26% | 99.17% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.03% | 95.89% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 81.02% | 89.62% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.09% | 90.71% |
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.
| Peperomia blanda |
| PubChem | 73069999 |
| LOTUS | LTS0191243 |
| wikiData | Q105116759 |