3-Methoxyporriolide
| Internal ID | 6ae58cfc-c40f-4093-844a-d0f53690c470 |
| Taxonomy | Organoheterocyclic compounds > Benzofurans > Benzofuranones |
| IUPAC Name | (3R)-6-hydroxy-3,4-dimethoxy-5-methyl-3H-2-benzofuran-1-one |
| SMILES (Canonical) | CC1=C(C=C2C(=C1OC)C(OC2=O)OC)O |
| SMILES (Isomeric) | CC1=C(C=C2C(=C1OC)[C@@H](OC2=O)OC)O |
| InChI | InChI=1S/C11H12O5/c1-5-7(12)4-6-8(9(5)14-2)11(15-3)16-10(6)13/h4,11-12H,1-3H3/t11-/m1/s1 |
| InChI Key | YVFKXUYPDHANIH-LLVKDONJSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C11H12O5 |
| Molecular Weight | 224.21 g/mol |
| Exact Mass | 224.06847348 g/mol |
| Topological Polar Surface Area (TPSA) | 65.00 Ų |
| XlogP | 1.30 |
| 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 | 95.53% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.14% | 95.56% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.95% | 94.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.35% | 99.23% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.27% | 98.95% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 86.10% | 99.15% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.09% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.55% | 86.33% |
| CHEMBL2535 | P11166 | Glucose transporter | 83.85% | 98.75% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 83.78% | 93.40% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 83.38% | 93.03% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 82.49% | 91.49% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 81.78% | 93.65% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 81.41% | 94.73% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 81.21% | 99.17% |
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 | 146684030 |
| LOTUS | LTS0026891 |
| wikiData | Q105365292 |