2-[3-Methoxy-4-(2-methylpropoxy)phenyl]-3-(2-methylpropoxymethyl)oxirane
| Internal ID | e7012df2-d7e0-4724-b8cc-46002060884c |
| Taxonomy | Benzenoids > Phenol ethers > Anisoles |
| IUPAC Name | 2-[3-methoxy-4-(2-methylpropoxy)phenyl]-3-(2-methylpropoxymethyl)oxirane |
| SMILES (Canonical) | CC(C)COCC1C(O1)C2=CC(=C(C=C2)OCC(C)C)OC |
| SMILES (Isomeric) | CC(C)COCC1C(O1)C2=CC(=C(C=C2)OCC(C)C)OC |
| InChI | InChI=1S/C18H28O4/c1-12(2)9-20-11-17-18(22-17)14-6-7-15(16(8-14)19-5)21-10-13(3)4/h6-8,12-13,17-18H,9-11H2,1-5H3 |
| InChI Key | IGRBFOIYYSZJJH-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H28O4 |
| Molecular Weight | 308.40 g/mol |
| Exact Mass | 308.19875937 g/mol |
| Topological Polar Surface Area (TPSA) | 40.20 Ų |
| XlogP | 3.90 |
| There are no found synonyms. |
![2D Structure of 2-[3-Methoxy-4-(2-methylpropoxy)phenyl]-3-(2-methylpropoxymethyl)oxirane](https://plantaedb.com/storage/docs/compounds/2023/11/2-3-methoxy-4-2-methylpropoxyphenyl-3-2-methylpropoxymethyloxirane.jpg "2D Structure of 2-[3-Methoxy-4-(2-methylpropoxy)phenyl]-3-(2-methylpropoxymethyl)oxirane")
| 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 | 98.09% | 96.09% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 92.35% | 96.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 92.32% | 94.73% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.20% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.55% | 98.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.36% | 97.09% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 88.59% | 89.62% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.41% | 86.33% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 88.12% | 91.11% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 88.00% | 97.21% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 86.50% | 96.95% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.72% | 90.00% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 84.32% | 93.31% |
| CHEMBL2535 | P11166 | Glucose transporter | 84.26% | 98.75% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.04% | 95.56% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 83.46% | 97.14% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 83.25% | 86.92% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 82.39% | 100.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.79% | 94.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.25% | 95.89% |
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.
| Bidens cynapiifolia |
| Coreopsis venusta |
| PubChem | 163070785 |
| LOTUS | LTS0105569 |
| wikiData | Q105112778 |