(5-Acetyl-6-hydroxy-7-methoxy-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran-3-yl) 2-methylbut-2-enoate
| Internal ID | 686278c6-170b-4064-ae09-a4bff9f64940 |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Acetophenones |
| IUPAC Name | (5-acetyl-6-hydroxy-7-methoxy-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran-3-yl) 2-methylbut-2-enoate |
| SMILES (Canonical) | CC=C(C)C(=O)OC1C(OC2=C(C(=C(C=C12)C(=O)C)O)OC)C(=C)C |
| SMILES (Isomeric) | CC=C(C)C(=O)OC1C(OC2=C(C(=C(C=C12)C(=O)C)O)OC)C(=C)C |
| InChI | InChI=1S/C19H22O6/c1-7-10(4)19(22)25-16-13-8-12(11(5)20)14(21)18(23-6)17(13)24-15(16)9(2)3/h7-8,15-16,21H,2H2,1,3-6H3 |
| InChI Key | AEOPRIJRFYKAQT-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H22O6 |
| Molecular Weight | 346.40 g/mol |
| Exact Mass | 346.14163842 g/mol |
| Topological Polar Surface Area (TPSA) | 82.10 Ų |
| XlogP | 3.70 |
| 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 | 98.27% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.38% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.42% | 94.45% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.57% | 99.17% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.21% | 94.73% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 86.44% | 91.19% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.13% | 86.33% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 83.90% | 91.07% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.52% | 89.00% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 82.50% | 89.34% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.27% | 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.
| Disynaphia halimifolia |
| Planaltoa lychnophoroides |
| PubChem | 162990928 |
| LOTUS | LTS0162921 |
| wikiData | Q104910290 |