[3-(Acetyloxymethyl)-4-(3,4,5-trimethoxyphenyl)-2-[(3,4,5-trimethoxyphenyl)methyl]butyl] acetate
| Internal ID | 71a002d9-5e00-46e9-b841-abe7e78b708c |
| Taxonomy | Lignans, neolignans and related compounds > Dibenzylbutane lignans |
| IUPAC Name | [3-(acetyloxymethyl)-4-(3,4,5-trimethoxyphenyl)-2-[(3,4,5-trimethoxyphenyl)methyl]butyl] acetate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C28H38O10/c1-17(29)37-15-21(9-19-11-23(31-3)27(35-7)24(12-19)32-4)22(16-38-18(2)30)10-20-13-25(33-5)28(36-8)26(14-20)34-6/h11-14,21-22H,9-10,15-16H2,1-8H3 |
| InChI Key | GEBNCVZOOVAQIX-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C28H38O10 |
| Molecular Weight | 534.60 g/mol |
| Exact Mass | 534.24649740 g/mol |
| Topological Polar Surface Area (TPSA) | 108.00 Ų |
| XlogP | 4.30 |
| There are no found synonyms. |
![2D Structure of [3-(Acetyloxymethyl)-4-(3,4,5-trimethoxyphenyl)-2-[(3,4,5-trimethoxyphenyl)methyl]butyl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/3-acetyloxymethyl-4-345-trimethoxyphenyl-2-345-trimethoxyphenylmethylbutyl-acetate.jpg "2D Structure of [3-(Acetyloxymethyl)-4-(3,4,5-trimethoxyphenyl)-2-[(3,4,5-trimethoxyphenyl)methyl]butyl] 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 | 98.17% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 94.53% | 99.17% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.27% | 85.14% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.87% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.32% | 98.95% |
| CHEMBL2535 | P11166 | Glucose transporter | 86.48% | 98.75% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 85.55% | 89.50% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 85.55% | 90.20% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.16% | 86.33% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 83.07% | 95.89% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.83% | 92.62% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 82.78% | 96.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 82.03% | 96.95% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 81.06% | 95.50% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 80.37% | 97.21% |
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.
| Aglaia elaeagnoidea |
| PubChem | 85269614 |
| LOTUS | LTS0073263 |
| wikiData | Q105007076 |