5-Methoxy-2-(5-prop-1-enyl-1-benzofuran-2-yl)benzene-1,3-diol
| Internal ID | bc31de26-dcd7-4ff6-9a67-b1469b9f737f |
| Taxonomy | Phenylpropanoids and polyketides > 2-arylbenzofuran flavonoids |
| IUPAC Name | 5-methoxy-2-(5-prop-1-enyl-1-benzofuran-2-yl)benzene-1,3-diol |
| SMILES (Canonical) | CC=CC1=CC2=C(C=C1)OC(=C2)C3=C(C=C(C=C3O)OC)O |
| SMILES (Isomeric) | CC=CC1=CC2=C(C=C1)OC(=C2)C3=C(C=C(C=C3O)OC)O |
| InChI | InChI=1S/C18H16O4/c1-3-4-11-5-6-16-12(7-11)8-17(22-16)18-14(19)9-13(21-2)10-15(18)20/h3-10,19-20H,1-2H3 |
| InChI Key | JJQWFDZKSXTGII-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C18H16O4 |
| Molecular Weight | 296.30 g/mol |
| Exact Mass | 296.10485899 g/mol |
| Topological Polar Surface Area (TPSA) | 62.80 Ų |
| XlogP | 4.30 |
| 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 | 98.97% | 91.11% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 92.95% | 99.15% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.00% | 86.33% |
| CHEMBL3194 | P02766 | Transthyretin | 90.87% | 90.71% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.72% | 95.56% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 90.47% | 90.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 90.18% | 96.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.48% | 94.45% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.96% | 94.73% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 86.54% | 85.14% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 85.32% | 90.24% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.76% | 99.17% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.87% | 94.00% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 82.77% | 93.65% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.84% | 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.
| Krameria ramosissima |
| PubChem | 163022257 |
| LOTUS | LTS0224227 |
| wikiData | Q105129844 |