3-[4-[1,3-Diacetyloxy-1-(4-acetyloxy-3-methoxyphenyl)propan-2-yl]oxy-3-methoxyphenyl]propyl acetate
| Internal ID | fd52ad44-1f3c-4c7f-966d-bd584140310b |
| Taxonomy | Lignans, neolignans and related compounds |
| IUPAC Name | 3-[4-[1,3-diacetyloxy-1-(4-acetyloxy-3-methoxyphenyl)propan-2-yl]oxy-3-methoxyphenyl]propyl acetate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C28H34O11/c1-17(29)35-13-7-8-21-9-11-24(25(14-21)33-5)39-27(16-36-18(2)30)28(38-20(4)32)22-10-12-23(37-19(3)31)26(15-22)34-6/h9-12,14-15,27-28H,7-8,13,16H2,1-6H3 |
| InChI Key | ONKKYRUCDBHKGN-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C28H34O11 |
| Molecular Weight | 546.60 g/mol |
| Exact Mass | 546.21011190 g/mol |
| Topological Polar Surface Area (TPSA) | 133.00 Ų |
| XlogP | 3.50 |
| There are no found synonyms. |
![2D Structure of 3-[4-[1,3-Diacetyloxy-1-(4-acetyloxy-3-methoxyphenyl)propan-2-yl]oxy-3-methoxyphenyl]propyl acetate](https://plantaedb.com/storage/docs/compounds/2023/11/3-4-13-diacetyloxy-1-4-acetyloxy-3-methoxyphenylpropan-2-yloxy-3-methoxyphenylpropyl-acetate.jpg "2D Structure of 3-[4-[1,3-Diacetyloxy-1-(4-acetyloxy-3-methoxyphenyl)propan-2-yl]oxy-3-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 | 99.11% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.47% | 98.95% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 95.57% | 95.17% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 94.62% | 99.17% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.16% | 94.45% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.17% | 86.33% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 89.69% | 85.14% |
| CHEMBL2535 | P11166 | Glucose transporter | 89.15% | 98.75% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 87.52% | 95.89% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 87.10% | 97.21% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 86.97% | 90.20% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 85.75% | 96.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.00% | 90.71% |
| CHEMBL3975 | P09467 | Fructose-1,6-bisphosphatase | 84.90% | 92.95% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 82.17% | 96.95% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 80.25% | 89.50% |
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.
| Taiwania cryptomerioides |
| PubChem | 162984457 |
| LOTUS | LTS0098290 |
| wikiData | Q105194840 |