5-Hydroxy-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-[1,4]dioxino[2,3-c]xanthen-7-one
| Internal ID | 58c5fa33-b5f4-44a3-a883-4962d98d827e |
| Taxonomy | Organoheterocyclic compounds > Benzodioxanes > Phenylbenzodioxanes > Phenylbenzo-1,4-dioxanes |
| IUPAC Name | 5-hydroxy-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-[1,4]dioxino[2,3-c]xanthen-7-one |
| SMILES (Canonical) | COC1=C(C=CC(=C1)C2C(OC3=C4C(=CC(=C3O2)O)C(=O)C5=CC=CC=C5O4)CO)O |
| SMILES (Isomeric) | COC1=C(C=CC(=C1)C2C(OC3=C4C(=CC(=C3O2)O)C(=O)C5=CC=CC=C5O4)CO)O |
| InChI | InChI=1S/C23H18O8/c1-28-17-8-11(6-7-14(17)25)20-18(10-24)30-23-21-13(9-15(26)22(23)31-20)19(27)12-4-2-3-5-16(12)29-21/h2-9,18,20,24-26H,10H2,1H3 |
| InChI Key | YAZWZKNWFXTOQR-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H18O8 |
| Molecular Weight | 422.40 g/mol |
| Exact Mass | 422.10016753 g/mol |
| Topological Polar Surface Area (TPSA) | 115.00 Ų |
| XlogP | 2.90 |
| There are no found synonyms. |
![2D Structure of 5-Hydroxy-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-[1,4]dioxino[2,3-c]xanthen-7-one](https://plantaedb.com/storage/docs/compounds/2023/11/13df4980-839b-11ee-8030-ddec19e153ae.jpg "2D Structure of 5-Hydroxy-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-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 | 99.79% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.30% | 85.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 97.12% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.13% | 89.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 92.27% | 94.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 91.14% | 99.23% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.33% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.73% | 96.09% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 87.20% | 92.62% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.48% | 97.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.78% | 99.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.91% | 86.33% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.36% | 94.73% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 82.30% | 86.92% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 82.18% | 99.15% |
| CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 81.81% | 80.78% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.91% | 94.45% |
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.
| Cratoxylum cochinchinense |
| PubChem | 75038344 |
| LOTUS | LTS0136878 |
| wikiData | Q105345730 |