(2S)-4,8,9-trihydroxy-11-methoxy-2,3,3-trimethyl-2H-furo[3,2-b]xanthen-5-one
| Internal ID | 796cfd3d-da5b-4379-99f1-b16092efc5ad |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Xanthones |
| IUPAC Name | (2S)-4,8,9-trihydroxy-11-methoxy-2,3,3-trimethyl-2H-furo[3,2-b]xanthen-5-one |
| SMILES (Canonical) | CC1C(C2=C(O1)C(=C3C(=C2O)C(=O)C4=C(O3)C(=C(C=C4)O)O)OC)(C)C |
| SMILES (Isomeric) | C[C@H]1C(C2=C(O1)C(=C3C(=C2O)C(=O)C4=C(O3)C(=C(C=C4)O)O)OC)(C)C |
| InChI | InChI=1S/C19H18O7/c1-7-19(2,3)11-14(23)10-12(21)8-5-6-9(20)13(22)15(8)26-16(10)18(24-4)17(11)25-7/h5-7,20,22-23H,1-4H3/t7-/m0/s1 |
| InChI Key | HFNUBTGETCNNAV-ZETCQYMHSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H18O7 |
| Molecular Weight | 358.30 g/mol |
| Exact Mass | 358.10525291 g/mol |
| Topological Polar Surface Area (TPSA) | 105.00 Ų |
| XlogP | 3.70 |
| There are no found synonyms. |
![2D Structure of (2S)-4,8,9-trihydroxy-11-methoxy-2,3,3-trimethyl-2H-furo[3,2-b]xanthen-5-one](https://plantaedb.com/storage/docs/compounds/2023/11/2s-489-trihydroxy-11-methoxy-233-trimethyl-2h-furo32-bxanthen-5-one.jpg "2D Structure of (2S)-4,8,9-trihydroxy-11-methoxy-2,3,3-trimethyl-2H-furo[3,2-b]xanthen-5-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 | 99.28% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.71% | 95.56% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 93.61% | 94.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 93.55% | 99.23% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 93.32% | 85.30% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.02% | 89.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.93% | 94.45% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 90.61% | 93.99% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 90.35% | 99.15% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 89.28% | 94.75% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 86.01% | 91.49% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.14% | 86.33% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 82.72% | 94.42% |
| CHEMBL2581 | P07339 | Cathepsin D | 81.12% | 98.95% |
| CHEMBL1163101 | O75460 | Serine/threonine-protein kinase/endoribonuclease IRE1 | 80.95% | 98.11% |
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.
| Maclura cochinchinensis |
| PubChem | 163029215 |
| LOTUS | LTS0074157 |
| wikiData | Q105027415 |