8-(1,3-Benzodioxol-5-yl)-6,7-dimethyl-5,6,7,8-tetrahydrobenzo[f][1,3]benzodioxol-5-ol
| Internal ID | 3065cecf-f2c1-4167-8e81-ebdd08582e8c |
| Taxonomy | Lignans, neolignans and related compounds > Aryltetralin lignans |
| IUPAC Name | 8-(1,3-benzodioxol-5-yl)-6,7-dimethyl-5,6,7,8-tetrahydrobenzo[f][1,3]benzodioxol-5-ol |
| SMILES (Canonical) | CC1C(C(C2=CC3=C(C=C2C1C4=CC5=C(C=C4)OCO5)OCO3)O)C |
| SMILES (Isomeric) | CC1C(C(C2=CC3=C(C=C2C1C4=CC5=C(C=C4)OCO5)OCO3)O)C |
| InChI | InChI=1S/C20H20O5/c1-10-11(2)20(21)14-7-18-17(24-9-25-18)6-13(14)19(10)12-3-4-15-16(5-12)23-8-22-15/h3-7,10-11,19-21H,8-9H2,1-2H3 |
| InChI Key | UFSWDRBHUMUFRO-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H20O5 |
| Molecular Weight | 340.40 g/mol |
| Exact Mass | 340.13107373 g/mol |
| Topological Polar Surface Area (TPSA) | 57.20 Ų |
| XlogP | 3.80 |
| There are no found synonyms. |
![2D Structure of 8-(1,3-Benzodioxol-5-yl)-6,7-dimethyl-5,6,7,8-tetrahydrobenzo[f][1,3]benzodioxol-5-ol](https://plantaedb.com/storage/docs/compounds/2023/11/8-13-benzodioxol-5-yl-67-dimethyl-5678-tetrahydrobenzof13benzodioxol-5-ol.jpg "2D Structure of 8-(1,3-Benzodioxol-5-yl)-6,7-dimethyl-5,6,7,8-tetrahydrobenzo[f][1,3]benzodioxol-5-ol")
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.59% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.62% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.40% | 97.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.03% | 89.00% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 87.27% | 94.80% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.17% | 94.45% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 85.57% | 91.49% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.12% | 100.00% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 84.96% | 96.77% |
| CHEMBL2581 | P07339 | Cathepsin D | 84.85% | 98.95% |
| CHEMBL2039 | P27338 | Monoamine oxidase B | 84.71% | 92.51% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 83.69% | 82.67% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.49% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.67% | 95.56% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.61% | 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.
| Bicuiba oleifera |
| PubChem | 14462045 |
| LOTUS | LTS0060844 |
| wikiData | Q105272087 |