Magnone A
| Internal ID | ebfbf211-463f-462e-a58d-a094e1c572d0 |
| Taxonomy | Lignans, neolignans and related compounds > Furanoid lignans > Tetrahydrofuran lignans > 7,9-epoxylignans |
| IUPAC Name | (3,4-dimethoxyphenyl)-[(3R,4R,5S)-5-(3,4-dimethoxyphenyl)-4-(hydroxymethyl)oxolan-3-yl]methanone |
| SMILES (Canonical) | COC1=C(C=C(C=C1)C2C(C(CO2)C(=O)C3=CC(=C(C=C3)OC)OC)CO)OC |
| SMILES (Isomeric) | COC1=C(C=C(C=C1)[C@@H]2[C@H]([C@H](CO2)C(=O)C3=CC(=C(C=C3)OC)OC)CO)OC |
| InChI | InChI=1S/C22H26O7/c1-25-17-7-5-13(9-19(17)27-3)21(24)16-12-29-22(15(16)11-23)14-6-8-18(26-2)20(10-14)28-4/h5-10,15-16,22-23H,11-12H2,1-4H3/t15-,16-,22+/m0/s1 |
| InChI Key | PYUASVNLYYZKLA-PONJGIIJSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C22H26O7 |
| Molecular Weight | 402.40 g/mol |
| Exact Mass | 402.16785316 g/mol |
| Topological Polar Surface Area (TPSA) | 83.40 Ų |
| XlogP | 2.20 |
| CHEMBL476710 |
| SCHEMBL6155418 |
| (3,4-dimethoxyphenyl)-[(3R,4R,5S)-5-(3,4-dimethoxyphenyl)-4-(hydroxymethyl)oxolan-3-yl]methanone |
| 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 | 97.59% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.47% | 86.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.90% | 99.17% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.87% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.99% | 97.09% |
| CHEMBL2535 | P11166 | Glucose transporter | 87.85% | 98.75% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 85.71% | 90.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 85.66% | 92.94% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.41% | 95.56% |
| CHEMBL4145 | Q9UKV0 | Histone deacetylase 9 | 84.25% | 85.49% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 83.69% | 93.99% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 82.83% | 96.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.71% | 91.19% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.20% | 89.00% |
| CHEMBL2716 | Q8WUI4 | Histone deacetylase 7 | 81.31% | 89.44% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.10% | 95.89% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 80.44% | 86.92% |
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.
| Magnolia biondii |
| Zanthoxylum simulans |
| PubChem | 9822388 |
| LOTUS | LTS0056375 |
| wikiData | Q105216780 |