[3-(4-Hydroxy-3-methoxyphenyl)-5-methoxy-9-oxo-2,3-dihydropyrano[3,2-h][1,4]benzodioxin-2-yl]methyl 3-(3,4-dihydroxyphenyl)prop-2-enoate
| Internal ID | 0ab7dfa4-b1be-4593-b094-960b241c91e3 |
| 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-(3,4-dihydroxyphenyl)prop-2-enoate |
| SMILES (Canonical) | COC1=C(C=CC(=C1)C2C(OC3=C4C(=CC(=C3O2)OC)C=CC(=O)O4)COC(=O)C=CC5=CC(=C(C=C5)O)O)O |
| SMILES (Isomeric) | COC1=C(C=CC(=C1)C2C(OC3=C4C(=CC(=C3O2)OC)C=CC(=O)O4)COC(=O)C=CC5=CC(=C(C=C5)O)O)O |
| InChI | InChI=1S/C29H24O11/c1-35-21-12-16(5-8-19(21)31)26-23(14-37-24(33)9-4-15-3-7-18(30)20(32)11-15)38-29-27-17(6-10-25(34)39-27)13-22(36-2)28(29)40-26/h3-13,23,26,30-32H,14H2,1-2H3 |
| InChI Key | SBHOYULRLAYYGT-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C29H24O11 |
| Molecular Weight | 548.50 g/mol |
| Exact Mass | 548.13186158 g/mol |
| Topological Polar Surface Area (TPSA) | 150.00 Ų |
| XlogP | 4.10 |
| 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-(3,4-dihydroxyphenyl)prop-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/1d49ea40-85e6-11ee-a60c-7b594bed42d3.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-(3,4-dihydroxyphenyl)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 | 99.22% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 95.43% | 86.33% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.18% | 85.14% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 94.04% | 96.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.40% | 95.56% |
| CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 91.51% | 80.78% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.41% | 96.09% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 90.02% | 91.49% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.44% | 99.17% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.88% | 89.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.87% | 97.09% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.54% | 99.23% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 87.21% | 96.95% |
| CHEMBL3194 | P02766 | Transthyretin | 85.30% | 90.71% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 84.08% | 86.92% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.66% | 92.62% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.95% | 94.45% |
| CHEMBL2535 | P11166 | Glucose transporter | 81.78% | 98.75% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 80.73% | 89.62% |
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 | 75051697 |
| LOTUS | LTS0076522 |
| wikiData | Q105249446 |