3-bromo-10-but-1-en-3-ynyl-2-ethyl-3,4,7,10-tetrahydro-2H-oxecine
| Internal ID | d50ac496-cd7e-40f8-996b-c25f3df7868e |
| Taxonomy | Organoheterocyclic compounds > Oxocins |
| IUPAC Name | 3-bromo-10-but-1-en-3-ynyl-2-ethyl-3,4,7,10-tetrahydro-2H-oxecine |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C15H19BrO/c1-3-5-10-13-11-8-6-7-9-12-14(16)15(4-2)17-13/h1,5,7-11,13-15H,4,6,12H2,2H3 |
| InChI Key | KQEYHIDELOKBAL-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C15H19BrO |
| Molecular Weight | 295.21 g/mol |
| Exact Mass | 294.06193 g/mol |
| Topological Polar Surface Area (TPSA) | 9.20 Ų |
| XlogP | 4.60 |
| 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 |
|---|---|---|---|---|
| CHEMBL2039 | P27338 | Monoamine oxidase B | 95.42% | 92.51% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.55% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 92.17% | 97.25% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 88.43% | 94.73% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.30% | 91.11% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 84.53% | 89.63% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.12% | 97.09% |
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 | 72732276 |
| LOTUS | LTS0071642 |
| wikiData | Q105144519 |