(E)-(3-chloromethylene-2,3-dihydrobenzo[b]oxepin-7-yl)methanol
| Internal ID | c0921e7f-2b88-442a-97f2-f936633318da |
| Taxonomy | Organoheterocyclic compounds > Benzoxepines |
| IUPAC Name | [(3E)-3-(chloromethylidene)-1-benzoxepin-7-yl]methanol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C12H11ClO2/c13-6-10-1-3-11-5-9(7-14)2-4-12(11)15-8-10/h1-6,14H,7-8H2/b10-6+ |
| InChI Key | VKTZUNYCRLMMMT-UXBLZVDNSA-N |
| Popularity | 6 references in papers |
| Molecular Formula | C12H11ClO2 |
| Molecular Weight | 222.67 g/mol |
| Exact Mass | 222.0447573 g/mol |
| Topological Polar Surface Area (TPSA) | 29.50 Ų |
| XlogP | 2.00 |
| [(3e,z)-(3-chloromethylene)-2,3-dihydro-1-benzoxepin-7-yl]methanol |
![2D Structure of (E)-(3-chloromethylene-2,3-dihydrobenzo[b]oxepin-7-yl)methanol](https://plantaedb.com/storage/docs/compounds/2023/11/e-3-chloromethylene-23-dihydrobenzoboxepin-7-ylmethanol.jpg "2D Structure of (E)-(3-chloromethylene-2,3-dihydrobenzo[b]oxepin-7-yl)methanol")
| 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 |
|---|---|---|---|---|
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.51% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.04% | 91.11% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 90.98% | 89.67% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 86.56% | 96.09% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 86.17% | 90.24% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 85.68% | 93.99% |
| CHEMBL2716 | Q8WUI4 | Histone deacetylase 7 | 85.63% | 89.44% |
| CHEMBL4145 | Q9UKV0 | Histone deacetylase 9 | 84.66% | 85.49% |
| CHEMBL2581 | P07339 | Cathepsin D | 83.78% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.38% | 86.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 81.83% | 99.17% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.62% | 90.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 81.60% | 96.95% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.55% | 95.89% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.55% | 94.73% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 80.28% | 96.77% |
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 | 10561025 |
| LOTUS | LTS0084344 |
| wikiData | Q105288083 |