3-(1-Hydroxyethyl)-1,3,4,5-tetrahydro-2-benzoxepine-5,9-diol
| Internal ID | cbe5404b-6498-400c-b62f-c120d2993e47 |
| Taxonomy | Organoheterocyclic compounds > Benzoxepines |
| IUPAC Name | 3-(1-hydroxyethyl)-1,3,4,5-tetrahydro-2-benzoxepine-5,9-diol |
| SMILES (Canonical) | CC(C1CC(C2=C(CO1)C(=CC=C2)O)O)O |
| SMILES (Isomeric) | CC(C1CC(C2=C(CO1)C(=CC=C2)O)O)O |
| InChI | InChI=1S/C12H16O4/c1-7(13)12-5-11(15)8-3-2-4-10(14)9(8)6-16-12/h2-4,7,11-15H,5-6H2,1H3 |
| InChI Key | VWZHVDDMUSWGIT-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C12H16O4 |
| Molecular Weight | 224.25 g/mol |
| Exact Mass | 224.10485899 g/mol |
| Topological Polar Surface Area (TPSA) | 69.90 Ų |
| XlogP | 0.30 |
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.20% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.45% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.42% | 96.09% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 89.27% | 93.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.67% | 97.09% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 85.87% | 91.49% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.38% | 95.56% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 85.15% | 100.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 84.26% | 99.15% |
| CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 82.87% | 83.10% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.71% | 90.71% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.02% | 94.45% |
| CHEMBL2535 | P11166 | Glucose transporter | 81.85% | 98.75% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.04% | 99.23% |
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 | 74817382 |
| LOTUS | LTS0082608 |
| wikiData | Q104199900 |