(4-Hydroxy-3,5-dimethoxyphenyl)-[5-(4-hydroxy-3,5-dimethoxyphenyl)-4-(hydroxymethyl)oxolan-3-yl]methanone
| Internal ID | 1c0c700c-c596-475a-8f83-10650036625b |
| Taxonomy | Lignans, neolignans and related compounds > Furanoid lignans > Tetrahydrofuran lignans > 7,9-epoxylignans |
| IUPAC Name | (4-hydroxy-3,5-dimethoxyphenyl)-[5-(4-hydroxy-3,5-dimethoxyphenyl)-4-(hydroxymethyl)oxolan-3-yl]methanone |
| SMILES (Canonical) | COC1=CC(=CC(=C1O)OC)C2C(C(CO2)C(=O)C3=CC(=C(C(=C3)OC)O)OC)CO |
| SMILES (Isomeric) | COC1=CC(=CC(=C1O)OC)C2C(C(CO2)C(=O)C3=CC(=C(C(=C3)OC)O)OC)CO |
| InChI | InChI=1S/C22H26O9/c1-27-15-5-11(6-16(28-2)20(15)25)19(24)14-10-31-22(13(14)9-23)12-7-17(29-3)21(26)18(8-12)30-4/h5-8,13-14,22-23,25-26H,9-10H2,1-4H3 |
| InChI Key | ANCVHDRNDJRUOT-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H26O9 |
| Molecular Weight | 434.40 g/mol |
| Exact Mass | 434.15768240 g/mol |
| Topological Polar Surface Area (TPSA) | 124.00 Ų |
| XlogP | 1.50 |
| 218901-26-9 |
| SCHEMBL19413832 |
| AKOS040762645 |
![2D Structure of (4-Hydroxy-3,5-dimethoxyphenyl)-[5-(4-hydroxy-3,5-dimethoxyphenyl)-4-(hydroxymethyl)oxolan-3-yl]methanone](https://plantaedb.com/storage/docs/compounds/2023/11/75563470-866a-11ee-92eb-97026a35bf9e.jpg "2D Structure of (4-Hydroxy-3,5-dimethoxyphenyl)-[5-(4-hydroxy-3,5-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.49% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.04% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.91% | 99.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.81% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.02% | 95.56% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 85.26% | 85.14% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 84.11% | 92.62% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.08% | 89.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 83.48% | 96.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.31% | 97.09% |
| CHEMBL2535 | P11166 | Glucose transporter | 81.86% | 98.75% |
| CHEMBL2581 | P07339 | Cathepsin D | 81.41% | 98.95% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 81.11% | 92.94% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.08% | 91.19% |
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.
| Bambusa emeiensis |
| PubChem | 73981549 |
| LOTUS | LTS0063109 |
| wikiData | Q104915071 |