6-(4,10-dihydroxy-7,9-dimethoxy-3-methyl-3,4-dihydro-1H-benzo[g]isochromen-5-yl)-7,9-dimethoxy-3-methyl-3,4-dihydro-1H-benzo[g]isochromene-4,10-diol
| Internal ID | b6b9f2b9-f272-4874-848b-a8ef6d8d7d17 |
| Taxonomy | Lignans, neolignans and related compounds > Arylnaphthalene lignans |
| IUPAC Name | 6-(4,10-dihydroxy-7,9-dimethoxy-3-methyl-3,4-dihydro-1H-benzo[g]isochromen-5-yl)-7,9-dimethoxy-3-methyl-3,4-dihydro-1H-benzo[g]isochromene-4,10-diol |
| SMILES (Canonical) | CC1C(C2=C(CO1)C(=C3C(=C2)C(=C(C=C3OC)OC)C4=C5C(C(OCC5=C(C6=C4C=C(C=C6OC)OC)O)C)O)O)O |
| SMILES (Isomeric) | CC1C(C2=C(CO1)C(=C3C(=C2)C(=C(C=C3OC)OC)C4=C5C(C(OCC5=C(C6=C4C=C(C=C6OC)OC)O)C)O)O)O |
| InChI | InChI=1S/C32H34O10/c1-13-29(33)16-9-18-24(22(39-5)10-23(40-6)26(18)31(35)19(16)11-41-13)27-17-7-15(37-3)8-21(38-4)25(17)32(36)20-12-42-14(2)30(34)28(20)27/h7-10,13-14,29-30,33-36H,11-12H2,1-6H3 |
| InChI Key | WRSWUZPYBGDARY-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C32H34O10 |
| Molecular Weight | 578.60 g/mol |
| Exact Mass | 578.21519728 g/mol |
| Topological Polar Surface Area (TPSA) | 136.00 Ų |
| XlogP | 3.20 |
| There are no found synonyms. |
![2D Structure of 6-(4,10-dihydroxy-7,9-dimethoxy-3-methyl-3,4-dihydro-1H-benzo[g]isochromen-5-yl)-7,9-dimethoxy-3-methyl-3,4-dihydro-1H-benzo[g]isochromene-4,10-diol](https://plantaedb.com/storage/docs/compounds/2023/11/5e05c290-876e-11ee-b817-9fd6211bcd0c.jpg "2D Structure of 6-(4,10-dihydroxy-7,9-dimethoxy-3-methyl-3,4-dihydro-1H-benzo[g]isochromen-5-yl)-7,9-dimethoxy-3-methyl-3,4-dihydro-1H-benzo[g]isochromene-4,10-diol")
| 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 | 99.22% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.73% | 96.09% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 94.69% | 92.94% |
| CHEMBL240 | Q12809 | HERG | 92.72% | 89.76% |
| CHEMBL1163125 | O60885 | Bromodomain-containing protein 4 | 91.15% | 97.31% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.95% | 89.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.81% | 94.45% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 89.31% | 93.99% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.06% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.42% | 95.56% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 87.16% | 92.62% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.97% | 99.17% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.12% | 95.89% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.60% | 94.00% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 84.32% | 95.56% |
| CHEMBL2535 | P11166 | Glucose transporter | 84.29% | 98.75% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.82% | 97.09% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.44% | 90.71% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 80.23% | 91.79% |
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.
| There are no matching plants. |
| PubChem | 85228311 |
| LOTUS | LTS0051518 |
| wikiData | Q104200562 |