Bis(2-methylpropanoyloxy)-9,10-epoxy-p-mentha-1,3,5-triene
| Internal ID | 9f613c43-7022-43f9-857f-d86b897dd5ca |
| Taxonomy | Benzenoids > Phenol esters |
| IUPAC Name | [2-[4-methyl-2-(2-methylpropanoyloxy)phenyl]oxiran-2-yl]methyl 2-methylpropanoate |
| SMILES (Canonical) | CC1=CC(=C(C=C1)C2(CO2)COC(=O)C(C)C)OC(=O)C(C)C |
| SMILES (Isomeric) | CC1=CC(=C(C=C1)C2(CO2)COC(=O)C(C)C)OC(=O)C(C)C |
| InChI | InChI=1S/C18H24O5/c1-11(2)16(19)21-9-18(10-22-18)14-7-6-13(5)8-15(14)23-17(20)12(3)4/h6-8,11-12H,9-10H2,1-5H3 |
| InChI Key | OLARKEMZPWGFJU-UHFFFAOYSA-N |
| Popularity | 9 references in papers |
| Molecular Formula | C18H24O5 |
| Molecular Weight | 320.40 g/mol |
| Exact Mass | 320.16237386 g/mol |
| Topological Polar Surface Area (TPSA) | 65.10 Ų |
| XlogP | 3.30 |
| Bis(2-methylpropanoyloxy)-9,10-epoxy-p-mentha-1,3,5-triene |
| [2-[4-methyl-2-(2-methylpropanoyloxy)phenyl]oxiran-2-yl]methyl 2-methylpropanoate |
| 10-Isobutyryloxy-8,9-epoxythymol isobutyrate |
| 10-?Isobutyryloxy-?8,?9-?epoxythymol isobutyrate |
| (2-(2-(Isobutyryloxy)-4-methylphenyl)oxiran-2-yl)methyl isobutyrate |
| MESTRANOL BICARBONATE |
| MLS000876971 |
| MEGxp0_001144 |
| SCHEMBL7949803 |
| CHEMBL1417148 |
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.86% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.08% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.38% | 98.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 91.96% | 94.73% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.27% | 95.56% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 88.69% | 90.71% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.79% | 94.45% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 86.01% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.97% | 86.33% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 83.84% | 94.80% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 83.75% | 96.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.81% | 89.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.24% | 91.19% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 81.96% | 97.21% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 81.21% | 99.17% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.90% | 95.89% |
| CHEMBL5028 | O14672 | ADAM10 | 80.50% | 97.50% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 80.36% | 96.95% |
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.
| PubChem | 11472669 |
| LOTUS | LTS0040949 |
| wikiData | Q105193874 |