[4-[(2R,3R)-2-(hydroxymethyl)-5-methoxy-9-oxo-2,3-dihydropyrano[3,2-h][1,4]benzodioxin-3-yl]-2-methoxyphenyl] (E)-3-phenylprop-2-enoate
| Internal ID | e109ac41-79fe-41bf-863c-476d090d84ac |
| Taxonomy | Lignans, neolignans and related compounds > Coumarinolignans |
| IUPAC Name | [4-[(2R,3R)-2-(hydroxymethyl)-5-methoxy-9-oxo-2,3-dihydropyrano[3,2-h][1,4]benzodioxin-3-yl]-2-methoxyphenyl] (E)-3-phenylprop-2-enoate |
| SMILES (Canonical) | COC1=C(C=CC(=C1)C2C(OC3=C4C(=CC(=C3O2)OC)C=CC(=O)O4)CO)OC(=O)C=CC5=CC=CC=C5 |
| SMILES (Isomeric) | COC1=C(C=CC(=C1)[C@@H]2[C@H](OC3=C4C(=CC(=C3O2)OC)C=CC(=O)O4)CO)OC(=O)/C=C/C5=CC=CC=C5 |
| InChI | InChI=1S/C29H24O9/c1-33-21-14-18(9-11-20(21)35-24(31)12-8-17-6-4-3-5-7-17)26-23(16-30)36-29-27-19(10-13-25(32)37-27)15-22(34-2)28(29)38-26/h3-15,23,26,30H,16H2,1-2H3/b12-8+/t23-,26-/m1/s1 |
| InChI Key | ZALKVTNQFICYGP-KVNLMVIASA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C29H24O9 |
| Molecular Weight | 516.50 g/mol |
| Exact Mass | 516.14203234 g/mol |
| Topological Polar Surface Area (TPSA) | 110.00 Ų |
| XlogP | 4.30 |
| There are no found synonyms. |
![2D Structure of [4-[(2R,3R)-2-(hydroxymethyl)-5-methoxy-9-oxo-2,3-dihydropyrano[3,2-h][1,4]benzodioxin-3-yl]-2-methoxyphenyl] (E)-3-phenylprop-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/b1b35240-8660-11ee-984e-f7652064883f.jpg "2D Structure of [4-[(2R,3R)-2-(hydroxymethyl)-5-methoxy-9-oxo-2,3-dihydropyrano[3,2-h][1,4]benzodioxin-3-yl]-2-methoxyphenyl] (E)-3-phenylprop-2-enoate")
| 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 | 95.85% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 95.15% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.35% | 95.56% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 94.00% | 96.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.17% | 85.14% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 91.25% | 86.92% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.59% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.61% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.32% | 98.95% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 87.00% | 96.95% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.81% | 99.23% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 86.81% | 93.99% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.38% | 97.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.08% | 89.00% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 81.73% | 95.50% |
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.
| Terminalia tropophylla |
| PubChem | 46177849 |
| LOTUS | LTS0256290 |
| wikiData | Q105369927 |