5,7-Dihydroxy-2-[3-(hydroxymethyl)-2-(4-hydroxyphenyl)-2,3-dihydro-1,4-benzodioxin-6-yl]chromen-4-one
| Internal ID | e329c6f9-bd26-4cb4-9170-0b6f319a8675 |
| Taxonomy | Lignans, neolignans and related compounds > Flavonolignans |
| IUPAC Name | 5,7-dihydroxy-2-[3-(hydroxymethyl)-2-(4-hydroxyphenyl)-2,3-dihydro-1,4-benzodioxin-6-yl]chromen-4-one |
| SMILES (Canonical) | C1=CC(=CC=C1C2C(OC3=C(O2)C=CC(=C3)C4=CC(=O)C5=C(C=C(C=C5O4)O)O)CO)O |
| SMILES (Isomeric) | C1=CC(=CC=C1C2C(OC3=C(O2)C=CC(=C3)C4=CC(=O)C5=C(C=C(C=C5O4)O)O)CO)O |
| InChI | InChI=1S/C24H18O8/c25-11-22-24(12-1-4-14(26)5-2-12)32-18-6-3-13(7-20(18)31-22)19-10-17(29)23-16(28)8-15(27)9-21(23)30-19/h1-10,22,24-28H,11H2 |
| InChI Key | QGMULYBZWIWTIF-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C24H18O8 |
| Molecular Weight | 434.40 g/mol |
| Exact Mass | 434.10016753 g/mol |
| Topological Polar Surface Area (TPSA) | 126.00 Ų |
| XlogP | 2.40 |
| There are no found synonyms. |
![2D Structure of 5,7-Dihydroxy-2-[3-(hydroxymethyl)-2-(4-hydroxyphenyl)-2,3-dihydro-1,4-benzodioxin-6-yl]chromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/90adfb40-8582-11ee-b363-09698e3dc5a7.jpg "2D Structure of 5,7-Dihydroxy-2-[3-(hydroxymethyl)-2-(4-hydroxyphenyl)-2,3-dihydro-1,4-benzodioxin-6-yl]chromen-4-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 | 99.07% | 91.11% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 95.14% | 89.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.73% | 98.95% |
| CHEMBL3194 | P02766 | Transthyretin | 92.69% | 90.71% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 90.12% | 86.92% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 89.90% | 98.35% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 89.73% | 94.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.67% | 97.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.48% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.26% | 94.45% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 88.12% | 99.15% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 86.96% | 91.49% |
| CHEMBL1978 | P11511 | Cytochrome P450 19A1 | 86.41% | 91.76% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.23% | 94.73% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.13% | 99.23% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.85% | 86.33% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 82.53% | 95.78% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 81.61% | 85.14% |
| CHEMBL4530 | P00488 | Coagulation factor XIII | 81.37% | 96.00% |
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.
| Verbascum sinaiticum |
| PubChem | 85141546 |
| LOTUS | LTS0156947 |
| wikiData | Q105220437 |