5-(1,3-Benzodioxol-5-yl)-6,7-dimethyl-7,8-dihydrobenzo[f][1,3]benzodioxole
| Internal ID | 3bf9998a-2d31-4c08-8f26-6c692a9d1010 |
| Taxonomy | Lignans, neolignans and related compounds > Aryltetralin lignans |
| IUPAC Name | 5-(1,3-benzodioxol-5-yl)-6,7-dimethyl-7,8-dihydrobenzo[f][1,3]benzodioxole |
| SMILES (Canonical) | CC1CC2=CC3=C(C=C2C(=C1C)C4=CC5=C(C=C4)OCO5)OCO3 |
| SMILES (Isomeric) | CC1CC2=CC3=C(C=C2C(=C1C)C4=CC5=C(C=C4)OCO5)OCO3 |
| InChI | InChI=1S/C20H18O4/c1-11-5-14-7-18-19(24-10-23-18)8-15(14)20(12(11)2)13-3-4-16-17(6-13)22-9-21-16/h3-4,6-8,11H,5,9-10H2,1-2H3 |
| InChI Key | FVOBJRAIAZNIPF-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H18O4 |
| Molecular Weight | 322.40 g/mol |
| Exact Mass | 322.12050905 g/mol |
| Topological Polar Surface Area (TPSA) | 36.90 Ų |
| XlogP | 4.10 |
| There are no found synonyms. |
![2D Structure of 5-(1,3-Benzodioxol-5-yl)-6,7-dimethyl-7,8-dihydrobenzo[f][1,3]benzodioxole](https://plantaedb.com/storage/docs/compounds/2023/11/5-13-benzodioxol-5-yl-67-dimethyl-78-dihydrobenzof13benzodioxole.jpg "2D Structure of 5-(1,3-Benzodioxol-5-yl)-6,7-dimethyl-7,8-dihydrobenzo[f][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 |
|---|---|---|---|---|
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 96.42% | 96.77% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 94.99% | 94.80% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 94.96% | 80.96% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.69% | 98.95% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 91.07% | 93.40% |
| CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 90.17% | 86.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.06% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.77% | 86.33% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 88.65% | 85.30% |
| CHEMBL3438 | Q05513 | Protein kinase C zeta | 88.54% | 88.48% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 88.38% | 95.78% |
| CHEMBL1944 | P08473 | Neprilysin | 87.20% | 92.63% |
| CHEMBL2039 | P27338 | Monoamine oxidase B | 86.50% | 92.51% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.71% | 89.00% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 83.61% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.48% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 82.64% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 82.55% | 91.49% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.83% | 100.00% |
| CHEMBL4940 | P07195 | L-lactate dehydrogenase B chain | 81.57% | 95.53% |
| CHEMBL5805 | Q9NR97 | Toll-like receptor 8 | 81.33% | 96.25% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.10% | 94.00% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 81.05% | 90.24% |
| CHEMBL2292 | Q13627 | Dual-specificity tyrosine-phosphorylation regulated kinase 1A | 80.14% | 93.24% |
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.
| Virola elongata |
| PubChem | 14655049 |
| LOTUS | LTS0081751 |
| wikiData | Q105002610 |