[3-(Chloromethylidene)-1-benzoxepin-7-yl]methyl hexadec-9-enoate
| Internal ID | 5124c392-fb7a-4839-98b6-e0e900ab238c |
| Taxonomy | Organoheterocyclic compounds > Benzoxepines |
| IUPAC Name | [3-(chloromethylidene)-1-benzoxepin-7-yl]methyl hexadec-9-enoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C28H39ClO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-28(30)32-22-24-17-19-27-26(20-24)18-16-25(21-29)23-31-27/h7-8,16-21H,2-6,9-15,22-23H2,1H3 |
| InChI Key | CNHXBDOGHGXADW-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C28H39ClO3 |
| Molecular Weight | 459.10 g/mol |
| Exact Mass | 458.2587728 g/mol |
| Topological Polar Surface Area (TPSA) | 35.50 Ų |
| XlogP | 9.00 |
| There are no found synonyms. |
![2D Structure of [3-(Chloromethylidene)-1-benzoxepin-7-yl]methyl hexadec-9-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/3-chloromethylidene-1-benzoxepin-7-ylmethyl-hexadec-9-enoate.jpg "2D Structure of [3-(Chloromethylidene)-1-benzoxepin-7-yl]methyl hexadec-9-enoate")
| 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 |
|---|---|---|---|---|
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 99.27% | 99.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.28% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.20% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.10% | 98.95% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 95.73% | 92.08% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 93.72% | 96.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.23% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.25% | 86.33% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 89.31% | 89.63% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.44% | 94.73% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 85.38% | 96.77% |
| CHEMBL3891 | P07384 | Calpain 1 | 84.60% | 93.04% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.06% | 95.89% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 83.67% | 100.00% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 83.32% | 97.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 82.40% | 96.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 80.74% | 95.56% |
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.
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| There are no matching plants. |
| PubChem | 74325466 |
| LOTUS | LTS0202752 |
| wikiData | Q104965809 |