(1,4-dihydroxy-6-methoxy-3-oxo-1H-2-benzofuran-5-yl)methyl 2-hydroxy-4-methoxy-3,6-dimethylbenzoate
| Internal ID | 9f508890-0695-4ddf-a202-82ab9b7fab20 |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Benzoic acids and derivatives > Methoxybenzoic acids and derivatives > P-methoxybenzoic acids and derivatives |
| IUPAC Name | (1,4-dihydroxy-6-methoxy-3-oxo-1H-2-benzofuran-5-yl)methyl 2-hydroxy-4-methoxy-3,6-dimethylbenzoate |
| SMILES (Canonical) | CC1=CC(=C(C(=C1C(=O)OCC2=C(C=C3C(OC(=O)C3=C2O)O)OC)O)C)OC |
| SMILES (Isomeric) | CC1=CC(=C(C(=C1C(=O)OCC2=C(C=C3C(OC(=O)C3=C2O)O)OC)O)C)OC |
| InChI | InChI=1S/C20H20O9/c1-8-5-12(26-3)9(2)16(21)14(8)19(24)28-7-11-13(27-4)6-10-15(17(11)22)20(25)29-18(10)23/h5-6,18,21-23H,7H2,1-4H3 |
| InChI Key | NYMLDQLMTURXIA-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H20O9 |
| Molecular Weight | 404.40 g/mol |
| Exact Mass | 404.11073221 g/mol |
| Topological Polar Surface Area (TPSA) | 132.00 Ų |
| XlogP | 3.20 |
| There are no found synonyms. |
| 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 | 94.16% | 91.11% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 94.06% | 89.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.63% | 85.14% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.05% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.95% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.01% | 99.17% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 89.76% | 94.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.51% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.08% | 96.09% |
| CHEMBL2002 | P12268 | Inosine-5'-monophosphate dehydrogenase 2 | 88.72% | 98.21% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.20% | 99.23% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 86.54% | 95.17% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 85.58% | 91.07% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 82.28% | 97.21% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 80.38% | 96.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.27% | 94.73% |
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.
| Digitalis lanata |
| Digitalis purpurea |
| PubChem | 163085742 |
| LOTUS | LTS0165386 |
| wikiData | Q105280212 |