5-[5-(3,4-Dimethoxyphenyl)-3,4-dimethyloxolan-2-yl]-1,3-benzodioxole
| Internal ID | c4b15212-2343-4eec-bfa8-ad650706befc |
| Taxonomy | Lignans, neolignans and related compounds > Furanoid lignans > Tetrahydrofuran lignans > 7,7-epoxylignans |
| IUPAC Name | 5-[5-(3,4-dimethoxyphenyl)-3,4-dimethyloxolan-2-yl]-1,3-benzodioxole |
| SMILES (Canonical) | CC1C(C(OC1C2=CC3=C(C=C2)OCO3)C4=CC(=C(C=C4)OC)OC)C |
| SMILES (Isomeric) | CC1C(C(OC1C2=CC3=C(C=C2)OCO3)C4=CC(=C(C=C4)OC)OC)C |
| InChI | InChI=1S/C21H24O5/c1-12-13(2)21(15-6-8-17-19(10-15)25-11-24-17)26-20(12)14-5-7-16(22-3)18(9-14)23-4/h5-10,12-13,20-21H,11H2,1-4H3 |
| InChI Key | HSMDOSKNXLVXIP-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H24O5 |
| Molecular Weight | 356.40 g/mol |
| Exact Mass | 356.16237386 g/mol |
| Topological Polar Surface Area (TPSA) | 46.20 Ų |
| XlogP | 4.30 |
| There are no found synonyms. |
![2D Structure of 5-[5-(3,4-Dimethoxyphenyl)-3,4-dimethyloxolan-2-yl]-1,3-benzodioxole](https://plantaedb.com/storage/docs/compounds/2023/11/5-5-34-dimethoxyphenyl-34-dimethyloxolan-2-yl-13-benzodioxole.jpg "2D Structure of 5-[5-(3,4-Dimethoxyphenyl)-3,4-dimethyloxolan-2-yl]-1,3-benzodioxole")
| 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 | 95.60% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.65% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.15% | 86.33% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.64% | 97.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 90.76% | 85.14% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 88.87% | 94.80% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.67% | 95.56% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 87.37% | 97.14% |
| CHEMBL4247 | Q9UM73 | ALK tyrosine kinase receptor | 86.24% | 96.86% |
| CHEMBL3438 | Q05513 | Protein kinase C zeta | 85.46% | 88.48% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 85.43% | 82.67% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.04% | 90.00% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 83.73% | 89.62% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 83.54% | 93.99% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.47% | 92.62% |
| CHEMBL2535 | P11166 | Glucose transporter | 83.34% | 98.75% |
| CHEMBL2581 | P07339 | Cathepsin D | 82.54% | 98.95% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 82.54% | 92.94% |
| CHEMBL4306 | P22460 | Voltage-gated potassium channel subunit Kv1.5 | 82.45% | 94.03% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 81.89% | 96.77% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.55% | 94.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.02% | 95.89% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.12% | 94.45% |
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.
| Aristolochia holostylis |
| Machilus japonica |
| Machilus thunbergii |
| Magnolia denudata |
| Magnolia fraseri |
| Piper hymenophyllum |
| Piper kadsura |
| Piper schmidtii |
| Pycnanthus angolensis |
| PubChem | 12302263 |
| LOTUS | LTS0022533 |
| wikiData | Q105033114 |