Lobariether B
| Internal ID | 9841b143-d571-4e72-b0dd-d2b75221a709 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Ethers > Diarylethers |
| IUPAC Name | methyl 2-[[(3S)-5,7-dihydroxy-3-methoxy-6-methyl-1-oxo-3H-2-benzofuran-4-yl]oxy]-3-(hydroxymethyl)-4-methoxy-6-methylbenzoate |
| SMILES (Canonical) | CC1=CC(=C(C(=C1C(=O)OC)OC2=C(C(=C(C3=C2C(OC3=O)OC)O)C)O)CO)OC |
| SMILES (Isomeric) | CC1=CC(=C(C(=C1C(=O)OC)OC2=C(C(=C(C3=C2[C@H](OC3=O)OC)O)C)O)CO)OC |
| InChI | InChI=1S/C21H22O10/c1-8-6-11(27-3)10(7-22)17(12(8)19(25)28-4)30-18-14-13(15(23)9(2)16(18)24)20(26)31-21(14)29-5/h6,21-24H,7H2,1-5H3/t21-/m0/s1 |
| InChI Key | KAZAKDLGJUTQKY-NRFANRHFSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C21H22O10 |
| Molecular Weight | 434.40 g/mol |
| Exact Mass | 434.12129689 g/mol |
| Topological Polar Surface Area (TPSA) | 141.00 Ų |
| XlogP | 2.40 |
| methyl 2-(((3S)-5,7-dihydroxy-3-methoxy-6-methyl-1-oxo-3H-2-benzofuran-4-yl)oxy)-3-(hydroxymethyl)-4-methoxy-6-methylbenzoate |
| methyl 2-[[(3S)-5,7-dihydroxy-3-methoxy-6-methyl-1-oxo-3H-2-benzofuran-4-yl]oxy]-3-(hydroxymethyl)-4-methoxy-6-methylbenzoate |
| RefChem:153861 |
| CHEMBL4063328 |
| CHEBI:206646 |
| methyl 2-[[(3S)-5,7-dihydroxy-3-methoxy-6-methyl-1-oxo-3H-2-benzouran-4-yl]oxy]-3-(hydroxymethyl)-4-methoxy-6-methylbenzoate |
| 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 | 97.78% | 91.11% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 92.03% | 94.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.00% | 99.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.20% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.11% | 86.33% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 88.05% | 91.07% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.12% | 98.95% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.09% | 99.23% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.00% | 89.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 84.30% | 96.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.72% | 94.73% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 83.66% | 96.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 82.52% | 99.15% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 82.27% | 91.79% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 82.04% | 95.17% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 80.78% | 97.21% |
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 | 132503326 |
| LOTUS | LTS0223856 |
| wikiData | Q105138047 |