2-(3,4-Dimethoxyphenyl)-3-methyl-5-(prop-1-en-1-yl)-1-benzofuran
| Internal ID | 8c12dd0a-0331-4e0e-a32e-b925c728a8fb |
| Taxonomy | Phenylpropanoids and polyketides > 2-arylbenzofuran flavonoids |
| IUPAC Name | 2-(3,4-dimethoxyphenyl)-3-methyl-5-prop-1-enyl-1-benzofuran |
| SMILES (Canonical) | CC=CC1=CC2=C(C=C1)OC(=C2C)C3=CC(=C(C=C3)OC)OC |
| SMILES (Isomeric) | CC=CC1=CC2=C(C=C1)OC(=C2C)C3=CC(=C(C=C3)OC)OC |
| InChI | InChI=1S/C20H20O3/c1-5-6-14-7-9-17-16(11-14)13(2)20(23-17)15-8-10-18(21-3)19(12-15)22-4/h5-12H,1-4H3 |
| InChI Key | HKMQKWZDPMJSBO-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C20H20O3 |
| Molecular Weight | 308.40 g/mol |
| Exact Mass | 308.14124450 g/mol |
| Topological Polar Surface Area (TPSA) | 31.60 Ų |
| XlogP | 5.30 |
| 2-(3,4-Dimethoxyphenyl)-3-methyl-5-(prop-1-en-1-yl)-1-benzofuran |
| 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 |
|---|---|---|---|---|
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 95.28% | 86.33% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 94.79% | 96.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.88% | 89.00% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 88.96% | 93.31% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.62% | 95.56% |
| CHEMBL5747 | Q92793 | CREB-binding protein | 88.49% | 95.12% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 88.30% | 92.94% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 86.42% | 91.11% |
| CHEMBL4306 | P22460 | Voltage-gated potassium channel subunit Kv1.5 | 86.41% | 94.03% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 85.68% | 92.98% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.21% | 94.00% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 83.51% | 95.50% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 83.22% | 91.49% |
| CHEMBL2717 | Q9HCR9 | Phosphodiesterase 11A | 83.02% | 85.00% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 82.89% | 95.78% |
| CHEMBL5939 | Q9NZ08 | Endoplasmic reticulum aminopeptidase 1 | 82.27% | 100.00% |
| CHEMBL5925 | P22413 | Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 | 81.78% | 92.38% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 81.41% | 93.65% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 81.07% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 80.91% | 98.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.74% | 94.73% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 80.42% | 89.62% |
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.
| Caryodaphnopsis tonkinensis |
| Eupomatia bennettii |
| Eupomatia laurina |
| PubChem | 71350455 |
| LOTUS | LTS0164788 |
| wikiData | Q82738043 |