d,l-Senepoxyde
| Internal ID | 76db4154-7ffe-4d5f-950e-2f39505ffbc5 |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Benzoic acids and derivatives > Benzoic acid esters |
| IUPAC Name | (2,3-diacetyloxy-7-oxabicyclo[4.1.0]hept-4-en-1-yl)methyl benzoate |
| SMILES (Canonical) | CC(=O)OC1C=CC2C(C1OC(=O)C)(O2)COC(=O)C3=CC=CC=C3 |
| SMILES (Isomeric) | CC(=O)OC1C=CC2C(C1OC(=O)C)(O2)COC(=O)C3=CC=CC=C3 |
| InChI | InChI=1S/C18H18O7/c1-11(19)23-14-8-9-15-18(25-15,16(14)24-12(2)20)10-22-17(21)13-6-4-3-5-7-13/h3-9,14-16H,10H2,1-2H3 |
| InChI Key | WJYFLYDUGXWVMP-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H18O7 |
| Molecular Weight | 346.30 g/mol |
| Exact Mass | 346.10525291 g/mol |
| Topological Polar Surface Area (TPSA) | 91.40 Ų |
| XlogP | 1.40 |
| 55332-79-1 |
| .beta.-Senepoxide |
| NSC310617 |
| SENEPOXIDE, BETA |
| SENEPOXYDE,1- |
| DTXSID30970681 |
| NSC367148 |
| NSC-310617 |
| NSC-367148 |
| 86747-02-6 |
| There are more than 10 synonyms. If you wish to see them all click here. |
| 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 | 94.54% | 86.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.49% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.32% | 91.11% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 91.47% | 90.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.76% | 98.95% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 89.44% | 94.62% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.33% | 94.73% |
| CHEMBL5028 | O14672 | ADAM10 | 85.12% | 97.50% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.12% | 95.56% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 80.96% | 83.00% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 80.30% | 94.08% |
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.
| Uvaria pandensis |
| PubChem | 329239 |
| LOTUS | LTS0229904 |
| wikiData | Q82953930 |