(2S)-5-methoxy-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran-6-ol
| Internal ID | 296a075a-463d-4a30-b4a2-8890e6d10cf8 |
| Taxonomy | Organoheterocyclic compounds > Coumarans |
| IUPAC Name | (2S)-5-methoxy-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran-6-ol |
| SMILES (Canonical) | CC(=C)C1CC2=CC(=C(C=C2O1)O)OC |
| SMILES (Isomeric) | CC(=C)[C@@H]1CC2=CC(=C(C=C2O1)O)OC |
| InChI | InChI=1S/C12H14O3/c1-7(2)10-4-8-5-12(14-3)9(13)6-11(8)15-10/h5-6,10,13H,1,4H2,2-3H3/t10-/m0/s1 |
| InChI Key | BCZUFWGVITXBBS-JTQLQIEISA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C12H14O3 |
| Molecular Weight | 206.24 g/mol |
| Exact Mass | 206.094294304 g/mol |
| Topological Polar Surface Area (TPSA) | 38.70 Ų |
| XlogP | 2.80 |
| 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 | 98.35% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.37% | 96.09% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 93.39% | 92.94% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 91.32% | 85.14% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 87.46% | 91.49% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.77% | 86.33% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.43% | 94.45% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.30% | 99.17% |
| CHEMBL4247 | Q9UM73 | ALK tyrosine kinase receptor | 85.20% | 96.86% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.01% | 95.89% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.63% | 94.00% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 83.35% | 95.62% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 81.90% | 96.95% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.87% | 95.89% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.56% | 95.56% |
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.
| Ophryosporus heptanthus |
| PubChem | 162895681 |
| LOTUS | LTS0194865 |
| wikiData | Q104923761 |