5-(3-Methyl-5-prop-1-enyl-1-benzofuran-2-yl)-1,3-benzodioxole
| Internal ID | 992224c7-5d5f-4e19-ad06-938c931f0146 |
| Taxonomy | Phenylpropanoids and polyketides > 2-arylbenzofuran flavonoids |
| IUPAC Name | 5-(3-methyl-5-prop-1-enyl-1-benzofuran-2-yl)-1,3-benzodioxole |
| SMILES (Canonical) | CC=CC1=CC2=C(C=C1)OC(=C2C)C3=CC4=C(C=C3)OCO4 |
| SMILES (Isomeric) | CC=CC1=CC2=C(C=C1)OC(=C2C)C3=CC4=C(C=C3)OCO4 |
| InChI | InChI=1S/C19H16O3/c1-3-4-13-5-7-16-15(9-13)12(2)19(22-16)14-6-8-17-18(10-14)21-11-20-17/h3-10H,11H2,1-2H3 |
| InChI Key | SFFQJYFGYNAPSW-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H16O3 |
| Molecular Weight | 292.30 g/mol |
| Exact Mass | 292.109944368 g/mol |
| Topological Polar Surface Area (TPSA) | 31.60 Ų |
| XlogP | 5.20 |
| 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 |
|---|---|---|---|---|
| CHEMBL240 | Q12809 | HERG | 97.15% | 89.76% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.69% | 91.11% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 96.58% | 94.80% |
| CHEMBL2039 | P27338 | Monoamine oxidase B | 96.35% | 92.51% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 95.15% | 89.00% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 94.30% | 91.49% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 93.39% | 80.96% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.55% | 94.45% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.49% | 86.33% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 90.96% | 96.77% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 90.62% | 96.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.34% | 95.56% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 89.89% | 85.30% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.63% | 98.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.08% | 94.73% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.73% | 100.00% |
| CHEMBL2717 | Q9HCR9 | Phosphodiesterase 11A | 82.75% | 85.00% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 82.61% | 93.31% |
| CHEMBL3227 | P41594 | Metabotropic glutamate receptor 5 | 80.28% | 96.42% |
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 baviensis |
| Caryodaphnopsis tonkinensis |
| Eupomatia bennettii |
| Eupomatia laurina |
| Piper aequale |
| Piper regnellii |
| Piper solmsianum |
| PubChem | 261729 |
| LOTUS | LTS0063476 |
| wikiData | Q104399759 |