5'-(Furan-3-yl)-1-hydroxy-12-(hydroxymethyl)-11-methylspiro[2-oxatricyclo[7.3.1.05,13]tridec-5(13)-ene-10,3'-oxolane]-2',4-dione
| Internal ID | 5a99a9c8-3428-4b99-9b8e-19203b07bcd4 |
| Taxonomy | Organoheterocyclic compounds > Pyrans > Pyranones and derivatives > Dihydropyranones |
| IUPAC Name | 5'-(furan-3-yl)-1-hydroxy-12-(hydroxymethyl)-11-methylspiro[2-oxatricyclo[7.3.1.05,13]tridec-5(13)-ene-10,3'-oxolane]-2',4-dione |
| SMILES (Canonical) | CC1C(C2(C3=C(CCCC3C14CC(OC4=O)C5=COC=C5)C(=O)CO2)O)CO |
| SMILES (Isomeric) | CC1C(C2(C3=C(CCCC3C14CC(OC4=O)C5=COC=C5)C(=O)CO2)O)CO |
| InChI | InChI=1S/C21H24O7/c1-11-15(8-22)21(25)18-13(16(23)10-27-21)3-2-4-14(18)20(11)7-17(28-19(20)24)12-5-6-26-9-12/h5-6,9,11,14-15,17,22,25H,2-4,7-8,10H2,1H3 |
| InChI Key | SREQLCNIKCZUGQ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H24O7 |
| Molecular Weight | 388.40 g/mol |
| Exact Mass | 388.15220310 g/mol |
| Topological Polar Surface Area (TPSA) | 106.00 Ų |
| XlogP | 1.10 |
| There are no found synonyms. |
![2D Structure of 5'-(Furan-3-yl)-1-hydroxy-12-(hydroxymethyl)-11-methylspiro[2-oxatricyclo[7.3.1.05,13]tridec-5(13)-ene-10,3'-oxolane]-2',4-dione](https://plantaedb.com/storage/docs/compounds/2023/11/570fd320-856b-11ee-8756-99b4aa6e1a9b.jpg "2D Structure of 5'-(Furan-3-yl)-1-hydroxy-12-(hydroxymethyl)-11-methylspiro[2-oxatricyclo[7.3.1.05,13]tridec-5(13)-ene-10,3'-oxolane]-2',4-dione")
| 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 |
|---|---|---|---|---|
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 96.67% | 97.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.50% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.16% | 85.14% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.24% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.74% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.18% | 95.56% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 90.09% | 83.82% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 88.40% | 100.00% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 87.63% | 91.49% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 87.43% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.32% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.28% | 89.00% |
| CHEMBL2039 | P27338 | Monoamine oxidase B | 84.89% | 92.51% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.19% | 86.33% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.91% | 94.00% |
| CHEMBL5555 | O00767 | Acyl-CoA desaturase | 81.67% | 97.50% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 81.08% | 93.04% |
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.
| Teucrium betonicum |
| PubChem | 85121736 |
| LOTUS | LTS0254372 |
| wikiData | Q105259029 |