3-(3,4-Dimethoxyphenyl)propyl 3-(3,4-dimethoxyphenyl)propanoate
| Internal ID | 976cc56a-363d-41e0-9234-9a06b9cfdcf4 |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Methoxybenzenes > Dimethoxybenzenes |
| IUPAC Name | 3-(3,4-dimethoxyphenyl)propyl 3-(3,4-dimethoxyphenyl)propanoate |
| SMILES (Canonical) | COC1=C(C=C(C=C1)CCCOC(=O)CCC2=CC(=C(C=C2)OC)OC)OC |
| SMILES (Isomeric) | COC1=C(C=C(C=C1)CCCOC(=O)CCC2=CC(=C(C=C2)OC)OC)OC |
| InChI | InChI=1S/C22H28O6/c1-24-18-10-7-16(14-20(18)26-3)6-5-13-28-22(23)12-9-17-8-11-19(25-2)21(15-17)27-4/h7-8,10-11,14-15H,5-6,9,12-13H2,1-4H3 |
| InChI Key | SMPBPOTWROHQRV-UHFFFAOYSA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C22H28O6 |
| Molecular Weight | 388.50 g/mol |
| Exact Mass | 388.18858861 g/mol |
| Topological Polar Surface Area (TPSA) | 63.20 Ų |
| XlogP | 4.20 |
| 3-(3,4-dimethoxyphenyl)propyl 3-(3,4-dimethoxyphenyl)propanoate |
| 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 | 98.47% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 96.13% | 99.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.45% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.69% | 98.95% |
| CHEMBL2535 | P11166 | Glucose transporter | 87.02% | 98.75% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.32% | 94.45% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 86.14% | 90.20% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.50% | 90.71% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 82.57% | 96.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 81.43% | 91.11% |
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.
| Achillea crithmifolia |
| Achillea micrantha |
| Achillea pseudoaleppica |
| Achillea setacea |
| Achillea sintenisii |
| Achillea teretifolia |
| Achillea vermicularis |
| Cladanthus arabicus |
| Piper sintenense |
| PubChem | 9977571 |
| LOTUS | LTS0151985 |
| wikiData | Q104402647 |