(E)-3-(1,3-benzodioxol-5-yl)-N-[2-(1,3-benzodioxol-5-yl)ethyl]prop-2-enamide
| Internal ID | 68711582-ad87-4448-92b6-00963aefc297 |
| Taxonomy | Phenylpropanoids and polyketides > Cinnamic acids and derivatives > Cinnamic acid amides |
| IUPAC Name | (E)-3-(1,3-benzodioxol-5-yl)-N-[2-(1,3-benzodioxol-5-yl)ethyl]prop-2-enamide |
| SMILES (Canonical) | C1OC2=C(O1)C=C(C=C2)CCNC(=O)C=CC3=CC4=C(C=C3)OCO4 |
| SMILES (Isomeric) | C1OC2=C(O1)C=C(C=C2)CCNC(=O)/C=C/C3=CC4=C(C=C3)OCO4 |
| InChI | InChI=1S/C19H17NO5/c21-19(6-3-13-1-4-15-17(9-13)24-11-22-15)20-8-7-14-2-5-16-18(10-14)25-12-23-16/h1-6,9-10H,7-8,11-12H2,(H,20,21)/b6-3+ |
| InChI Key | YQKXNEWHNMPIKL-ZZXKWVIFSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C19H17NO5 |
| Molecular Weight | 339.30 g/mol |
| Exact Mass | 339.11067264 g/mol |
| Topological Polar Surface Area (TPSA) | 66.00 Ų |
| XlogP | 3.20 |
| SCHEMBL4881421 |
![2D Structure of (E)-3-(1,3-benzodioxol-5-yl)-N-[2-(1,3-benzodioxol-5-yl)ethyl]prop-2-enamide](https://plantaedb.com/storage/docs/compounds/2023/11/e-3-13-benzodioxol-5-yl-n-2-13-benzodioxol-5-ylethylprop-2-enamide.jpg "2D Structure of (E)-3-(1,3-benzodioxol-5-yl)-N-[2-(1,3-benzodioxol-5-yl)ethyl]prop-2-enamide")
| 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 | 98.32% | 91.11% |
| CHEMBL2039 | P27338 | Monoamine oxidase B | 97.77% | 92.51% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 96.75% | 94.80% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.45% | 98.95% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 95.19% | 96.77% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.85% | 94.45% |
| CHEMBL5261 | Q7L7X3 | Serine/threonine-protein kinase TAO1 | 92.73% | 89.33% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 92.22% | 96.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.37% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.15% | 89.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.10% | 99.17% |
| CHEMBL5701 | Q9H2K8 | Serine/threonine-protein kinase TAO3 | 88.05% | 96.67% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.68% | 94.73% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 86.36% | 90.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 85.07% | 96.09% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 84.22% | 80.96% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.48% | 90.71% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 83.16% | 95.50% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.46% | 92.62% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 81.14% | 89.34% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 81.04% | 85.30% |
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.
| Beilschmiedia erithrophloia |
| Zanthoxylum rubescens |
| PubChem | 14237548 |
| LOTUS | LTS0202232 |
| wikiData | Q105352263 |