8-(4-hydroxy-3-methoxyphenyl)-6,7-dimethyl-7,8-dihydro-6H-benzo[f][1,3]benzodioxol-5-one
| Internal ID | 7146cd6c-115c-4cc4-95f9-4a9ec8d660ae |
| Taxonomy | Lignans, neolignans and related compounds > Aryltetralin lignans |
| IUPAC Name | 8-(4-hydroxy-3-methoxyphenyl)-6,7-dimethyl-7,8-dihydro-6H-benzo[f][1,3]benzodioxol-5-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C20H20O5/c1-10-11(2)20(22)14-8-18-17(24-9-25-18)7-13(14)19(10)12-4-5-15(21)16(6-12)23-3/h4-8,10-11,19,21H,9H2,1-3H3 |
| InChI Key | PKDKRIQIMYSIFF-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) | 65.00 Ų |
| XlogP | 3.90 |
| NSC350857 |
| ENSCHICINE |
| 8-(4-hydroxy-3-methoxyphenyl)-6,7-dimethyl-7,8-dihydro-6H-benzo[f][1,3]benzodioxol-5-one |
| DTXSID00331028 |
| NSC-350857 |
| 8-(4-Hydroxy-3-methoxyphenyl)-6,7-dimethyl-7,8-dihydro-2H-naphtho[2,3-d][1,3]dioxol-5(6H)-one |
![2D Structure of 8-(4-hydroxy-3-methoxyphenyl)-6,7-dimethyl-7,8-dihydro-6H-benzo[f][1,3]benzodioxol-5-one](https://plantaedb.com/storage/docs/compounds/2023/11/8-4-hydroxy-3-methoxyphenyl-67-dimethyl-78-dihydro-6h-benzof13benzodioxol-5-one.jpg "2D Structure of 8-(4-hydroxy-3-methoxyphenyl)-6,7-dimethyl-7,8-dihydro-6H-benzo[f][1,3]benzodioxol-5-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.29% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.92% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.23% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.82% | 98.95% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 94.13% | 96.77% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.06% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.65% | 89.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 90.68% | 99.15% |
| CHEMBL4247 | Q9UM73 | ALK tyrosine kinase receptor | 90.38% | 96.86% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 90.07% | 82.67% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 89.38% | 89.62% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.09% | 97.09% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 87.67% | 92.62% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 87.51% | 90.71% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.40% | 86.33% |
| CHEMBL2535 | P11166 | Glucose transporter | 86.33% | 98.75% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 85.05% | 92.94% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.52% | 95.89% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.09% | 94.00% |
| CHEMBL3438 | Q05513 | Protein kinase C zeta | 81.20% | 88.48% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.13% | 94.45% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 81.12% | 96.21% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.81% | 99.23% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.62% | 90.00% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 80.59% | 91.49% |
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.
| Schisandra henryi |
| PubChem | 434449 |
| LOTUS | LTS0232175 |
| wikiData | Q82095829 |