1-[3-(Chloromethylene)-2,3-dihydro-1-benzoxepin-7-yl]ethanone
| Internal ID | 9b31c16d-98f9-45bb-8ae7-27b713148b4f |
| Taxonomy | Organoheterocyclic compounds > Benzoxepines |
| IUPAC Name | 1-[3-(chloromethylidene)-1-benzoxepin-7-yl]ethanone |
| SMILES (Canonical) | CC(=O)C1=CC2=C(C=C1)OCC(=CCl)C=C2 |
| SMILES (Isomeric) | CC(=O)C1=CC2=C(C=C1)OCC(=CCl)C=C2 |
| InChI | InChI=1S/C13H11ClO2/c1-9(15)11-4-5-13-12(6-11)3-2-10(7-14)8-16-13/h2-7H,8H2,1H3 |
| InChI Key | QEWSARCWWQPUSM-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C13H11ClO2 |
| Molecular Weight | 234.68 g/mol |
| Exact Mass | 234.0447573 g/mol |
| Topological Polar Surface Area (TPSA) | 26.30 Ų |
| XlogP | 2.60 |
| QEWSARCWWQPUSM-UHFFFAOYSA-N |
| 1-[3-(chloromethylene)-2,3-dihydro-1-benzoxepin-7-yl]ethanone |
![2D Structure of 1-[3-(Chloromethylene)-2,3-dihydro-1-benzoxepin-7-yl]ethanone](https://plantaedb.com/storage/docs/compounds/2023/11/1-3-chloromethylene-23-dihydro-1-benzoxepin-7-ylethanone.jpg "2D Structure of 1-[3-(Chloromethylene)-2,3-dihydro-1-benzoxepin-7-yl]ethanone")
| 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 | 90.39% | 86.33% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 89.48% | 90.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.23% | 91.11% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.55% | 94.73% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.13% | 89.00% |
| CHEMBL1293294 | P51151 | Ras-related protein Rab-9A | 84.10% | 87.67% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.68% | 100.00% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 81.94% | 94.80% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 81.79% | 96.09% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 81.23% | 96.77% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 81.11% | 99.17% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 80.11% | 89.34% |
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.
| There are no matching plants. |
| PubChem | 69666503 |
| LOTUS | LTS0070916 |
| wikiData | Q82687560 |