[3-(4-Hydroxy-3-methoxyphenyl)-5-methoxy-9-oxo-2,3-dihydropyrano[3,2-h][1,4]benzodioxin-2-yl]methyl acetate
| Internal ID | e0e2388e-4d72-4890-bf7d-3e0ccb782fd9 |
| Taxonomy | Lignans, neolignans and related compounds > Coumarinolignans |
| IUPAC Name | [3-(4-hydroxy-3-methoxyphenyl)-5-methoxy-9-oxo-2,3-dihydropyrano[3,2-h][1,4]benzodioxin-2-yl]methyl acetate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C22H20O9/c1-11(23)28-10-17-19(12-4-6-14(24)15(8-12)26-2)31-21-16(27-3)9-13-5-7-18(25)30-20(13)22(21)29-17/h4-9,17,19,24H,10H2,1-3H3 |
| InChI Key | ICLAWMWLMZMRGC-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C22H20O9 |
| Molecular Weight | 428.40 g/mol |
| Exact Mass | 428.11073221 g/mol |
| Topological Polar Surface Area (TPSA) | 110.00 Ų |
| XlogP | 2.70 |
| There are no found synonyms. |
![2D Structure of [3-(4-Hydroxy-3-methoxyphenyl)-5-methoxy-9-oxo-2,3-dihydropyrano[3,2-h][1,4]benzodioxin-2-yl]methyl acetate](https://plantaedb.com/storage/docs/compounds/2023/11/a6151d20-8705-11ee-870e-a91af1216907.jpg "2D Structure of [3-(4-Hydroxy-3-methoxyphenyl)-5-methoxy-9-oxo-2,3-dihydropyrano[3,2-h][1,4]benzodioxin-2-yl]methyl acetate")
| 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 | 98.20% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 98.04% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.74% | 96.09% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 92.24% | 97.21% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 91.70% | 96.95% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 91.67% | 94.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.37% | 99.23% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.34% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.28% | 94.45% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.14% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.61% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.50% | 86.33% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.85% | 92.62% |
| CHEMBL2535 | P11166 | Glucose transporter | 83.49% | 98.75% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 83.30% | 99.15% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.32% | 97.09% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.92% | 94.73% |
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.
| Duranta erecta |
| Hyoscyamus niger |
| Jatropha gossypiifolia |
| PubChem | 72758016 |
| LOTUS | LTS0225284 |
| wikiData | Q105111048 |