[3-(4-Hydroxy-3-methoxyphenyl)-5-methoxy-9-oxo-2,3-dihydropyrano[3,2-h][1,4]benzodioxin-2-yl]methyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
| Internal ID | fee91375-2ed3-48b3-b68e-df0435d1a409 |
| 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 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate |
| SMILES (Canonical) | COC1=C(C=CC(=C1)C=CC(=O)OCC2C(OC3=C(C=C4C=CC(=O)OC4=C3O2)OC)C5=CC(=C(C=C5)O)OC)O |
| SMILES (Isomeric) | COC1=C(C=CC(=C1)C=CC(=O)OCC2C(OC3=C(C=C4C=CC(=O)OC4=C3O2)OC)C5=CC(=C(C=C5)O)OC)O |
| InChI | InChI=1S/C30H26O11/c1-35-21-12-16(4-8-19(21)31)5-10-25(33)38-15-24-27(17-6-9-20(32)22(13-17)36-2)41-29-23(37-3)14-18-7-11-26(34)40-28(18)30(29)39-24/h4-14,24,27,31-32H,15H2,1-3H3 |
| InChI Key | RDPYGDKKJMTRLB-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H26O11 |
| Molecular Weight | 562.50 g/mol |
| Exact Mass | 562.14751164 g/mol |
| Topological Polar Surface Area (TPSA) | 139.00 Ų |
| XlogP | 4.40 |
| 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 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/02672b00-858d-11ee-b907-5db944dbab0c.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 3-(4-hydroxy-3-methoxyphenyl)prop-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 | 98.81% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 95.43% | 86.33% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 94.03% | 96.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.58% | 95.56% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.68% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.08% | 96.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.62% | 89.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.97% | 97.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.34% | 99.17% |
| CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 87.85% | 80.78% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.79% | 99.23% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 87.21% | 96.95% |
| CHEMBL3194 | P02766 | Transthyretin | 86.33% | 90.71% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 83.59% | 86.92% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.58% | 92.62% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.88% | 94.45% |
| CHEMBL2535 | P11166 | Glucose transporter | 81.78% | 98.75% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 81.64% | 89.62% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 81.52% | 91.49% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.11% | 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 |
| PubChem | 75037472 |
| LOTUS | LTS0164944 |
| wikiData | Q105234389 |