[2-Hydroxy-2-(10-hydroxy-5-methoxy-6-oxo-1,2-dihydrofuro[2,3-c]xanthen-2-yl)propyl] acetate
| Internal ID | 32e7d857-8b89-463c-8180-e212b2134666 |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Xanthones |
| IUPAC Name | [2-hydroxy-2-(10-hydroxy-5-methoxy-6-oxo-1,2-dihydrofuro[2,3-c]xanthen-2-yl)propyl] acetate |
| SMILES (Canonical) | CC(=O)OCC(C)(C1CC2=C3C(=C(C=C2O1)OC)C(=O)C4=C(O3)C(=CC=C4)O)O |
| SMILES (Isomeric) | CC(=O)OCC(C)(C1CC2=C3C(=C(C=C2O1)OC)C(=O)C4=C(O3)C(=CC=C4)O)O |
| InChI | InChI=1S/C21H20O8/c1-10(22)27-9-21(2,25)16-7-12-14(28-16)8-15(26-3)17-18(24)11-5-4-6-13(23)19(11)29-20(12)17/h4-6,8,16,23,25H,7,9H2,1-3H3 |
| InChI Key | TWYDJBNJGIIVDL-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H20O8 |
| Molecular Weight | 400.40 g/mol |
| Exact Mass | 400.11581759 g/mol |
| Topological Polar Surface Area (TPSA) | 112.00 Ų |
| XlogP | 2.10 |
| There are no found synonyms. |
![2D Structure of [2-Hydroxy-2-(10-hydroxy-5-methoxy-6-oxo-1,2-dihydrofuro[2,3-c]xanthen-2-yl)propyl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/2-hydroxy-2-10-hydroxy-5-methoxy-6-oxo-12-dihydrofuro23-cxanthen-2-ylpropyl-acetate.jpg "2D Structure of [2-Hydroxy-2-(10-hydroxy-5-methoxy-6-oxo-1,2-dihydrofuro[2,3-c]xanthen-2-yl)propyl] acetate")
| 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 | 99.16% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 98.21% | 85.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.72% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 95.12% | 89.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.69% | 98.95% |
| CHEMBL2535 | P11166 | Glucose transporter | 93.87% | 98.75% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.74% | 96.09% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 93.64% | 94.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.13% | 94.45% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 92.14% | 99.23% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 92.00% | 92.62% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.37% | 86.33% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 90.31% | 93.99% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.13% | 99.17% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.65% | 95.89% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.88% | 91.19% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 83.26% | 95.62% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 83.13% | 97.14% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 82.78% | 96.39% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 82.43% | 97.25% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.40% | 94.73% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 81.96% | 97.33% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 81.57% | 89.50% |
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.
| Psorospermum febrifugum |
| PubChem | 75072275 |
| LOTUS | LTS0088866 |
| wikiData | Q105266203 |