Epoxydine B
| Internal ID | ef9985ce-b110-4b73-a4fd-69c9e856f175 |
| Taxonomy | Organoheterocyclic compounds > Furans > Furoic acid and derivatives > Furoic acid esters |
| IUPAC Name | [(1S,5R,6R)-5,6-dihydroxy-3-(hydroxymethyl)-2-oxocyclohex-3-en-1-yl] furan-2-carboxylate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C12H12O7/c13-5-6-4-7(14)10(16)11(9(6)15)19-12(17)8-2-1-3-18-8/h1-4,7,10-11,13-14,16H,5H2/t7-,10-,11-/m1/s1 |
| InChI Key | IUPQIDXKBSJTMR-AVPPRXQKSA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C12H12O7 |
| Molecular Weight | 268.22 g/mol |
| Exact Mass | 268.05830272 g/mol |
| Topological Polar Surface Area (TPSA) | 117.00 Ų |
| XlogP | -0.40 |
| (1s,5r,6r)-5,6-dihydroxy-3-(hydroxymethyl)-2-oxocyclohex-3-en-1-yl furan-2-carboxylate |
| 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 |
|---|---|---|---|---|
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 93.31% | 83.82% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.20% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.49% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.16% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.49% | 94.45% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 86.32% | 95.93% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.16% | 99.17% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.49% | 94.00% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 82.92% | 86.92% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.91% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.70% | 86.33% |
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.
| There are no matching plants. |
| PubChem | 46186613 |
| LOTUS | LTS0038249 |
| wikiData | Q77500015 |