(2R,3R)-2-ethyl-8,10-dihydroxy-3-(4-hydroxy-3-methoxyphenyl)-2,3-dihydro-[1,4]dioxino[2,3-c]xanthen-7-one
| Internal ID | 48235696-23e8-417e-83bd-0aa000176e5a |
| Taxonomy | Organoheterocyclic compounds > Benzodioxanes > Phenylbenzodioxanes > Phenylbenzo-1,4-dioxanes |
| IUPAC Name | (2R,3R)-2-ethyl-8,10-dihydroxy-3-(4-hydroxy-3-methoxyphenyl)-2,3-dihydro-[1,4]dioxino[2,3-c]xanthen-7-one |
| SMILES (Canonical) | CCC1C(OC2=C(O1)C3=C(C=C2)C(=O)C4=C(C=C(C=C4O3)O)O)C5=CC(=C(C=C5)O)OC |
| SMILES (Isomeric) | CC[C@@H]1[C@H](OC2=C(O1)C3=C(C=C2)C(=O)C4=C(C=C(C=C4O3)O)O)C5=CC(=C(C=C5)O)OC |
| InChI | InChI=1S/C24H20O8/c1-3-16-22(11-4-6-14(26)18(8-11)29-2)31-17-7-5-13-21(28)20-15(27)9-12(25)10-19(20)32-23(13)24(17)30-16/h4-10,16,22,25-27H,3H2,1-2H3/t16-,22-/m1/s1 |
| InChI Key | GTGMAIGXTZWZDI-OPAMFIHVSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C24H20O8 |
| Molecular Weight | 436.40 g/mol |
| Exact Mass | 436.11581759 g/mol |
| Topological Polar Surface Area (TPSA) | 115.00 Ų |
| XlogP | 4.60 |
| There are no found synonyms. |
![2D Structure of (2R,3R)-2-ethyl-8,10-dihydroxy-3-(4-hydroxy-3-methoxyphenyl)-2,3-dihydro-[1,4]dioxino[2,3-c]xanthen-7-one](https://plantaedb.com/storage/docs/compounds/2023/11/f69538c0-85c1-11ee-a869-e9d5302d3730.jpg "2D Structure of (2R,3R)-2-ethyl-8,10-dihydroxy-3-(4-hydroxy-3-methoxyphenyl)-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 | 99.13% | 91.11% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 95.72% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.28% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.20% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.03% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.21% | 96.09% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 91.55% | 94.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 91.33% | 99.23% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.61% | 86.33% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 88.55% | 92.62% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.20% | 99.17% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.64% | 97.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 87.56% | 85.14% |
| CHEMBL2535 | P11166 | Glucose transporter | 87.11% | 98.75% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 85.84% | 91.49% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.12% | 94.73% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 83.86% | 89.62% |
| CHEMBL3194 | P02766 | Transthyretin | 83.34% | 90.71% |
| CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 82.88% | 80.78% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 81.65% | 82.38% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 80.69% | 93.99% |
| CHEMBL2717 | Q9HCR9 | Phosphodiesterase 11A | 80.67% | 85.00% |
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.
| Hypericum monogynum |
| PubChem | 162925234 |
| LOTUS | LTS0012126 |
| wikiData | Q105018641 |