(2R,3R)-2-(4-hydroxy-2,3-dimethoxyphenyl)-9-(5-hydroxy-2-methoxyphenyl)-3-(hydroxymethyl)-6,8-dimethoxy-2,3-dihydropyrano[3,2-h][1,4]benzodioxin-7-one
| Internal ID | d65a565f-1cf7-42d1-9f6b-0c0d30b3fc4f |
| Taxonomy | Lignans, neolignans and related compounds > Flavonolignans |
| IUPAC Name | (2R,3R)-2-(4-hydroxy-2,3-dimethoxyphenyl)-9-(5-hydroxy-2-methoxyphenyl)-3-(hydroxymethyl)-6,8-dimethoxy-2,3-dihydropyrano[3,2-h][1,4]benzodioxin-7-one |
| SMILES (Canonical) | COC1=C(C=C(C=C1)O)C2=C(C(=O)C3=C(C=C4C(=C3O2)OC(C(O4)CO)C5=C(C(=C(C=C5)O)OC)OC)OC)OC |
| SMILES (Isomeric) | COC1=C(C=C(C=C1)O)C2=C(C(=O)C3=C(C=C4C(=C3O2)O[C@@H]([C@H](O4)CO)C5=C(C(=C(C=C5)O)OC)OC)OC)OC |
| InChI | InChI=1S/C29H28O12/c1-34-17-9-6-13(31)10-15(17)25-29(38-5)22(33)21-18(35-2)11-19-27(28(21)41-25)40-23(20(12-30)39-19)14-7-8-16(32)26(37-4)24(14)36-3/h6-11,20,23,30-32H,12H2,1-5H3/t20-,23-/m1/s1 |
| InChI Key | DVLWVYIZRZIYQB-NFBKMPQASA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C29H28O12 |
| Molecular Weight | 568.50 g/mol |
| Exact Mass | 568.15807632 g/mol |
| Topological Polar Surface Area (TPSA) | 152.00 Ų |
| XlogP | 3.20 |
| There are no found synonyms. |
![2D Structure of (2R,3R)-2-(4-hydroxy-2,3-dimethoxyphenyl)-9-(5-hydroxy-2-methoxyphenyl)-3-(hydroxymethyl)-6,8-dimethoxy-2,3-dihydropyrano[3,2-h][1,4]benzodioxin-7-one](https://plantaedb.com/storage/docs/compounds/2023/11/9807c1c0-85c4-11ee-b335-275d526ec8d0.jpg "2D Structure of (2R,3R)-2-(4-hydroxy-2,3-dimethoxyphenyl)-9-(5-hydroxy-2-methoxyphenyl)-3-(hydroxymethyl)-6,8-dimethoxy-2,3-dihydropyrano[3,2-h][1,4]benzodioxin-7-one")
| 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 | 99.56% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.91% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.70% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.30% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.17% | 89.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.22% | 99.17% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 90.92% | 99.23% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 90.03% | 94.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 88.74% | 99.15% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.54% | 94.45% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 86.40% | 90.20% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.13% | 95.89% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 86.04% | 96.09% |
| CHEMBL2535 | P11166 | Glucose transporter | 85.04% | 98.75% |
| CHEMBL3194 | P02766 | Transthyretin | 82.25% | 90.71% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.13% | 91.19% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 80.09% | 82.38% |
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.
| Distemonanthus benthamianus |
| PubChem | 101678939 |
| LOTUS | LTS0081018 |
| wikiData | Q104990203 |