(3R,4R)-4-[bis(1,3-benzodioxol-5-yl)methyl]-3-methyloxolan-2-one
| Internal ID | c61f606d-53d2-422c-a310-4582520a295a |
| Taxonomy | Organoheterocyclic compounds > Benzodioxoles |
| IUPAC Name | (3R,4R)-4-[bis(1,3-benzodioxol-5-yl)methyl]-3-methyloxolan-2-one |
| SMILES (Canonical) | CC1C(COC1=O)C(C2=CC3=C(C=C2)OCO3)C4=CC5=C(C=C4)OCO5 |
| SMILES (Isomeric) | C[C@@H]1[C@H](COC1=O)C(C2=CC3=C(C=C2)OCO3)C4=CC5=C(C=C4)OCO5 |
| InChI | InChI=1S/C20H18O6/c1-11-14(8-22-20(11)21)19(12-2-4-15-17(6-12)25-9-23-15)13-3-5-16-18(7-13)26-10-24-16/h2-7,11,14,19H,8-10H2,1H3/t11-,14+/m1/s1 |
| InChI Key | AVZNYICISHZREJ-RISCZKNCSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H18O6 |
| Molecular Weight | 354.40 g/mol |
| Exact Mass | 354.11033829 g/mol |
| Topological Polar Surface Area (TPSA) | 63.20 Ų |
| XlogP | 3.70 |
| There are no found synonyms. |
![2D Structure of (3R,4R)-4-[bis(1,3-benzodioxol-5-yl)methyl]-3-methyloxolan-2-one](https://plantaedb.com/storage/docs/compounds/2023/11/3r4r-4-bis13-benzodioxol-5-ylmethyl-3-methyloxolan-2-one.jpg "2D Structure of (3R,4R)-4-[bis(1,3-benzodioxol-5-yl)methyl]-3-methyloxolan-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 |
|---|---|---|---|---|
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 99.55% | 94.80% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 96.49% | 96.77% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.02% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.96% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.46% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.47% | 89.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 88.35% | 85.14% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 86.79% | 80.96% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.60% | 94.45% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 86.56% | 90.71% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.66% | 86.33% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 84.58% | 100.00% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 84.54% | 93.40% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 83.87% | 85.30% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.02% | 100.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 81.88% | 96.09% |
| CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 81.71% | 86.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.23% | 96.00% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 80.03% | 90.24% |
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 glabella |
| PubChem | 102444974 |
| LOTUS | LTS0069909 |
| wikiData | Q104919921 |