3-(4-Methoxy-1,3-dihydro-2-benzofuran-1-yl)-1-(3-methyloxiran-2-yl)propane-1,2-diol
| Internal ID | e36a3d7a-7c01-4406-9e8c-06444a3f2def |
| Taxonomy | Organoheterocyclic compounds > Isocoumarans |
| IUPAC Name | 3-(4-methoxy-1,3-dihydro-2-benzofuran-1-yl)-1-(3-methyloxiran-2-yl)propane-1,2-diol |
| SMILES (Canonical) | CC1C(O1)C(C(CC2C3=C(CO2)C(=CC=C3)OC)O)O |
| SMILES (Isomeric) | CC1C(O1)C(C(CC2C3=C(CO2)C(=CC=C3)OC)O)O |
| InChI | InChI=1S/C15H20O5/c1-8-15(20-8)14(17)11(16)6-13-9-4-3-5-12(18-2)10(9)7-19-13/h3-5,8,11,13-17H,6-7H2,1-2H3 |
| InChI Key | SSAMALNYLVNQLL-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H20O5 |
| Molecular Weight | 280.32 g/mol |
| Exact Mass | 280.13107373 g/mol |
| Topological Polar Surface Area (TPSA) | 71.40 Ų |
| XlogP | 0.40 |
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.21% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.37% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.26% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.93% | 86.33% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 90.51% | 93.99% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 87.90% | 85.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.85% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.43% | 97.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.50% | 99.17% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 84.69% | 97.14% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 82.74% | 97.25% |
| CHEMBL2535 | P11166 | Glucose transporter | 82.64% | 98.75% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 81.40% | 89.62% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.94% | 92.62% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.76% | 89.00% |
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.
| Echinacea angustifolia |
| Echinacea purpurea |
| PubChem | 76462714 |
| LOTUS | LTS0080992 |
| wikiData | Q105178436 |