(2S,3S)-8-hydroxy-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-(hydroxymethyl)-10-methoxy-2,3-dihydro-[1,4]dioxino[2,3-c]xanthen-7-one
| Internal ID | 81404eca-3aab-400d-ab63-3aec593cc61d |
| Taxonomy | Organoheterocyclic compounds > Benzodioxanes > Phenylbenzodioxanes > Phenylbenzo-1,4-dioxanes |
| IUPAC Name | (2S,3S)-8-hydroxy-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-(hydroxymethyl)-10-methoxy-2,3-dihydro-[1,4]dioxino[2,3-c]xanthen-7-one |
| SMILES (Canonical) | COC1=CC(=C2C(=C1)OC3=C(C2=O)C=CC4=C3OC(C(O4)C5=CC(=C(C(=C5)OC)O)OC)CO)O |
| SMILES (Isomeric) | COC1=CC(=C2C(=C1)OC3=C(C2=O)C=CC4=C3O[C@H]([C@@H](O4)C5=CC(=C(C(=C5)OC)O)OC)CO)O |
| InChI | InChI=1S/C25H22O10/c1-30-12-8-14(27)20-16(9-12)34-24-13(21(20)28)4-5-15-25(24)35-19(10-26)23(33-15)11-6-17(31-2)22(29)18(7-11)32-3/h4-9,19,23,26-27,29H,10H2,1-3H3/t19-,23-/m0/s1 |
| InChI Key | NGLVDMIISAUIAQ-CVDCTZTESA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H22O10 |
| Molecular Weight | 482.40 g/mol |
| Exact Mass | 482.12129689 g/mol |
| Topological Polar Surface Area (TPSA) | 133.00 Ų |
| XlogP | 3.30 |
| There are no found synonyms. |
![2D Structure of (2S,3S)-8-hydroxy-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-(hydroxymethyl)-10-methoxy-2,3-dihydro-[1,4]dioxino[2,3-c]xanthen-7-one](https://plantaedb.com/storage/docs/compounds/2023/11/d1106450-85f9-11ee-8720-41887238beb7.jpg "2D Structure of (2S,3S)-8-hydroxy-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-(hydroxymethyl)-10-methoxy-2,3-dihydro-[1,4]dioxino[2,3-c]xanthen-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 | 99.54% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 98.62% | 85.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.16% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.01% | 94.45% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 94.84% | 89.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.48% | 98.95% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 93.88% | 94.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.87% | 97.09% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.75% | 96.09% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 89.58% | 99.15% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 89.13% | 92.62% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.97% | 99.23% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.85% | 99.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.05% | 86.33% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.08% | 94.73% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 84.01% | 86.92% |
| CHEMBL3194 | P02766 | Transthyretin | 81.32% | 90.71% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 80.75% | 97.33% |
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.
| Hypericum geminiflorum |
| PubChem | 162915862 |
| LOTUS | LTS0115721 |
| wikiData | Q105179007 |