9-(1,3-Benzodioxol-5-yl)-4-methoxy-7,8-dimethyl-6,7-dihydrobenzo[g][1,3]benzodioxole
| Internal ID | 7929e1d0-ddd1-4467-84b8-a2b92f3a6c8a |
| Taxonomy | Lignans, neolignans and related compounds > Aryltetralin lignans |
| IUPAC Name | 9-(1,3-benzodioxol-5-yl)-4-methoxy-7,8-dimethyl-6,7-dihydrobenzo[g][1,3]benzodioxole |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C21H20O5/c1-11-6-14-8-17(22-3)20-21(26-10-25-20)19(14)18(12(11)2)13-4-5-15-16(7-13)24-9-23-15/h4-5,7-8,11H,6,9-10H2,1-3H3 |
| InChI Key | RJQPRSOOXLYPSN-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H20O5 |
| Molecular Weight | 352.40 g/mol |
| Exact Mass | 352.13107373 g/mol |
| Topological Polar Surface Area (TPSA) | 46.20 Ų |
| XlogP | 4.00 |
| There are no found synonyms. |
![2D Structure of 9-(1,3-Benzodioxol-5-yl)-4-methoxy-7,8-dimethyl-6,7-dihydrobenzo[g][1,3]benzodioxole](https://plantaedb.com/storage/docs/compounds/2023/11/9-13-benzodioxol-5-yl-4-methoxy-78-dimethyl-67-dihydrobenzog13benzodioxole.jpg "2D Structure of 9-(1,3-Benzodioxol-5-yl)-4-methoxy-7,8-dimethyl-6,7-dihydrobenzo[g][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 | 96.37% | 96.09% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 96.04% | 96.77% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.75% | 94.45% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.47% | 86.33% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 93.96% | 85.14% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 92.18% | 95.78% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 91.17% | 94.00% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 90.94% | 93.40% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.40% | 98.95% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 89.98% | 80.96% |
| CHEMBL3438 | Q05513 | Protein kinase C zeta | 89.94% | 88.48% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 89.30% | 85.30% |
| CHEMBL261 | P00915 | Carbonic anhydrase I | 88.48% | 96.76% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.12% | 95.56% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 86.77% | 92.62% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.45% | 95.89% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 85.72% | 97.14% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 85.66% | 82.67% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.28% | 89.00% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 84.76% | 96.09% |
| CHEMBL4940 | P07195 | L-lactate dehydrogenase B chain | 83.46% | 95.53% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 82.26% | 91.11% |
| CHEMBL4306 | P22460 | Voltage-gated potassium channel subunit Kv1.5 | 80.85% | 94.03% |
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.
| Virola calophylloidea |
| PubChem | 163077047 |
| LOTUS | LTS0194236 |
| wikiData | Q105237717 |