3-[4-Acetyloxy-3-[1-acetyloxy-3-(4-acetyloxy-3-methoxyphenyl)propan-2-yl]-5-methoxyphenyl]propyl acetate
| Internal ID | d4622c0e-0e85-46d1-b3e0-88f9d889736c |
| Taxonomy | Lignans, neolignans and related compounds |
| IUPAC Name | 3-[4-acetyloxy-3-[1-acetyloxy-3-(4-acetyloxy-3-methoxyphenyl)propan-2-yl]-5-methoxyphenyl]propyl acetate |
| SMILES (Canonical) | CC(=O)OCCCC1=CC(=C(C(=C1)OC)OC(=O)C)C(CC2=CC(=C(C=C2)OC(=O)C)OC)COC(=O)C |
| SMILES (Isomeric) | CC(=O)OCCCC1=CC(=C(C(=C1)OC)OC(=O)C)C(CC2=CC(=C(C=C2)OC(=O)C)OC)COC(=O)C |
| InChI | InChI=1S/C28H34O10/c1-17(29)35-11-7-8-21-13-24(28(38-20(4)32)27(15-21)34-6)23(16-36-18(2)30)12-22-9-10-25(37-19(3)31)26(14-22)33-5/h9-10,13-15,23H,7-8,11-12,16H2,1-6H3 |
| InChI Key | VEVLLNLDPPPYEG-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C28H34O10 |
| Molecular Weight | 530.60 g/mol |
| Exact Mass | 530.21519728 g/mol |
| Topological Polar Surface Area (TPSA) | 124.00 Ų |
| XlogP | 3.80 |
| There are no found synonyms. |
![2D Structure of 3-[4-Acetyloxy-3-[1-acetyloxy-3-(4-acetyloxy-3-methoxyphenyl)propan-2-yl]-5-methoxyphenyl]propyl acetate](https://plantaedb.com/storage/docs/compounds/2023/11/691a5e40-81b3-11ee-a993-33f8cc07e4a4.jpg "2D Structure of 3-[4-Acetyloxy-3-[1-acetyloxy-3-(4-acetyloxy-3-methoxyphenyl)propan-2-yl]-5-methoxyphenyl]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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.31% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.41% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 96.51% | 99.17% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.39% | 94.45% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 92.25% | 95.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.62% | 86.33% |
| CHEMBL2535 | P11166 | Glucose transporter | 89.56% | 98.75% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 88.38% | 90.20% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 85.00% | 97.21% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 84.92% | 96.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 83.09% | 96.95% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.35% | 90.71% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.73% | 94.00% |
| CHEMBL3975 | P09467 | Fructose-1,6-bisphosphatase | 81.32% | 92.95% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 80.46% | 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.
| Cryptomeria japonica |
| PubChem | 14135393 |
| LOTUS | LTS0232084 |
| wikiData | Q105284885 |