[(1R,2R)-1-(3,4-dimethoxyphenyl)-2-(2-methoxy-4-prop-1-enylphenoxy)propyl] acetate
| Internal ID | d1484b8a-53e0-42f2-ba56-0b1dc5ca6d56 |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Benzyloxycarbonyls |
| IUPAC Name | [(1R,2R)-1-(3,4-dimethoxyphenyl)-2-(2-methoxy-4-prop-1-enylphenoxy)propyl] acetate |
| SMILES (Canonical) | CC=CC1=CC(=C(C=C1)OC(C)C(C2=CC(=C(C=C2)OC)OC)OC(=O)C)OC |
| SMILES (Isomeric) | CC=CC1=CC(=C(C=C1)O[C@H](C)[C@@H](C2=CC(=C(C=C2)OC)OC)OC(=O)C)OC |
| InChI | InChI=1S/C23H28O6/c1-7-8-17-9-11-20(21(13-17)26-5)28-15(2)23(29-16(3)24)18-10-12-19(25-4)22(14-18)27-6/h7-15,23H,1-6H3/t15-,23+/m1/s1 |
| InChI Key | PYVVKTYHVHGNMI-CMJOXMDJSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H28O6 |
| Molecular Weight | 400.50 g/mol |
| Exact Mass | 400.18858861 g/mol |
| Topological Polar Surface Area (TPSA) | 63.20 Ų |
| XlogP | 4.70 |
| There are no found synonyms. |
![2D Structure of [(1R,2R)-1-(3,4-dimethoxyphenyl)-2-(2-methoxy-4-prop-1-enylphenoxy)propyl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/1r2r-1-34-dimethoxyphenyl-2-2-methoxy-4-prop-1-enylphenoxypropyl-acetate.jpg "2D Structure of [(1R,2R)-1-(3,4-dimethoxyphenyl)-2-(2-methoxy-4-prop-1-enylphenoxy)propyl] acetate")
| 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 |
|---|---|---|---|---|
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 97.07% | 96.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.32% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.71% | 94.45% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.78% | 86.33% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.47% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.80% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.28% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.11% | 89.00% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 87.94% | 90.20% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.38% | 99.17% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 87.32% | 89.50% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.38% | 94.73% |
| CHEMBL2535 | P11166 | Glucose transporter | 86.25% | 98.75% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 85.88% | 90.00% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 85.82% | 89.62% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 84.70% | 95.50% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 81.56% | 97.21% |
| CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 80.18% | 83.10% |
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.
| Acorus gramineus |
| PubChem | 162899418 |
| LOTUS | LTS0212185 |
| wikiData | Q105216814 |