10-Acetoxy-8,9-epoxythymol 3-angelate
| Internal ID | 65c2b2e5-b07f-4cf8-bb28-e6473317fb09 |
| Taxonomy | Benzenoids > Phenol esters |
| IUPAC Name | [2-[2-(acetyloxymethyl)oxiran-2-yl]-5-methylphenyl] (Z)-2-methylbut-2-enoate |
| SMILES (Canonical) | CC=C(C)C(=O)OC1=C(C=CC(=C1)C)C2(CO2)COC(=O)C |
| SMILES (Isomeric) | C/C=C(/C)\C(=O)OC1=C(C=CC(=C1)C)C2(CO2)COC(=O)C |
| InChI | InChI=1S/C17H20O5/c1-5-12(3)16(19)22-15-8-11(2)6-7-14(15)17(10-21-17)9-20-13(4)18/h5-8H,9-10H2,1-4H3/b12-5- |
| InChI Key | XRTYDFQPBORLIK-XGICHPGQSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C17H20O5 |
| Molecular Weight | 304.34 g/mol |
| Exact Mass | 304.13107373 g/mol |
| Topological Polar Surface Area (TPSA) | 65.10 Ų |
| XlogP | 2.40 |
| XRTYDFQPBORLIK-XGICHPGQSA-N |
| 2-(2-[(Acetyloxy)methyl]-2-oxiranyl)-5-methylphenyl (2Z)-2-methyl-2-butenoate # |
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.13% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.23% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.14% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.04% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.54% | 98.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 89.42% | 94.73% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.19% | 89.00% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 85.94% | 94.80% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.60% | 94.45% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 83.51% | 96.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.20% | 91.19% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.20% | 99.17% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 82.96% | 90.24% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 81.29% | 96.95% |
| CHEMBL2782 | P35610 | Acyl coenzyme A:cholesterol acyltransferase 1 | 80.50% | 91.65% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 80.39% | 97.21% |
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.
| Hofmeisteria schaffneri |
| PubChem | 5373805 |
| LOTUS | LTS0270921 |
| wikiData | Q103813528 |