[2-(Furan-3-yl)-4a,9-dihydroxy-10b-methyl-4-oxo-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,5,6,6a,7,8,9,10,10a-decahydrobenzo[f]isochromen-10-yl] acetate
| Internal ID | c0c9d90f-7a4d-4d84-b0ba-6dec59519196 |
| Taxonomy | Organoheterocyclic compounds > Naphthopyrans |
| IUPAC Name | [2-(furan-3-yl)-4a,9-dihydroxy-10b-methyl-4-oxo-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,5,6,6a,7,8,9,10,10a-decahydrobenzo[f]isochromen-10-yl] acetate |
| SMILES (Canonical) | CC(=O)OC1C(CC(C2C1C3(CC(OC(=O)C3(CC2)O)C4=COC=C4)C)OC5C(C(C(C(O5)CO)O)O)O)O |
| SMILES (Isomeric) | CC(=O)OC1C(CC(C2C1C3(CC(OC(=O)C3(CC2)O)C4=COC=C4)C)OC5C(C(C(C(O5)CO)O)O)O)O |
| InChI | InChI=1S/C26H36O13/c1-11(28)36-22-14(29)7-15(37-23-21(32)20(31)19(30)17(9-27)38-23)13-3-5-26(34)24(33)39-16(12-4-6-35-10-12)8-25(26,2)18(13)22/h4,6,10,13-23,27,29-32,34H,3,5,7-9H2,1-2H3 |
| InChI Key | GADVYUZLGRAFKB-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C26H36O13 |
| Molecular Weight | 556.60 g/mol |
| Exact Mass | 556.21559120 g/mol |
| Topological Polar Surface Area (TPSA) | 206.00 Ų |
| XlogP | -1.00 |
| There are no found synonyms. |
![2D Structure of [2-(Furan-3-yl)-4a,9-dihydroxy-10b-methyl-4-oxo-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,5,6,6a,7,8,9,10,10a-decahydrobenzo[f]isochromen-10-yl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/87335d90-8574-11ee-b0d1-f1250ead4934.jpg "2D Structure of [2-(Furan-3-yl)-4a,9-dihydroxy-10b-methyl-4-oxo-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,5,6,6a,7,8,9,10,10a-decahydrobenzo[f]isochromen-10-yl] 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 | 98.36% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.34% | 94.45% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.08% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.48% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.74% | 97.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 90.01% | 100.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.83% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.38% | 86.33% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 87.19% | 94.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.25% | 95.89% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 83.53% | 86.92% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 83.39% | 92.50% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 83.30% | 90.17% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 83.27% | 91.24% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 82.28% | 97.79% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.00% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 81.73% | 98.95% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 80.01% | 93.00% |
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.
| Tinospora sinensis |
| PubChem | 163034249 |
| LOTUS | LTS0166484 |
| wikiData | Q105005329 |