[3,5-Dimethoxy-7-methyl-4-oxo-1-prop-2-enyl-6-(3,4,5-trimethoxyphenyl)-8-bicyclo[3.2.1]oct-2-enyl] acetate
| Internal ID | ac8b8d66-eb03-4573-9413-e6403f037fcc |
| Taxonomy | Benzenoids > Phenol ethers > Anisoles |
| IUPAC Name | [3,5-dimethoxy-7-methyl-4-oxo-1-prop-2-enyl-6-(3,4,5-trimethoxyphenyl)-8-bicyclo[3.2.1]oct-2-enyl] acetate |
| SMILES (Canonical) | CC1C(C2(C(C1(C=C(C2=O)OC)CC=C)OC(=O)C)OC)C3=CC(=C(C(=C3)OC)OC)OC |
| SMILES (Isomeric) | CC1C(C2(C(C1(C=C(C2=O)OC)CC=C)OC(=O)C)OC)C3=CC(=C(C(=C3)OC)OC)OC |
| InChI | InChI=1S/C25H32O8/c1-9-10-24-13-19(30-6)22(27)25(32-8,23(24)33-15(3)26)20(14(24)2)16-11-17(28-4)21(31-7)18(12-16)29-5/h9,11-14,20,23H,1,10H2,2-8H3 |
| InChI Key | FZDLEQGNLDOAAT-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H32O8 |
| Molecular Weight | 460.50 g/mol |
| Exact Mass | 460.20971797 g/mol |
| Topological Polar Surface Area (TPSA) | 89.50 Ų |
| XlogP | 3.60 |
| There are no found synonyms. |
![2D Structure of [3,5-Dimethoxy-7-methyl-4-oxo-1-prop-2-enyl-6-(3,4,5-trimethoxyphenyl)-8-bicyclo[3.2.1]oct-2-enyl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/d2761fa0-8635-11ee-82f1-11d8bee7decc.jpg "2D Structure of [3,5-Dimethoxy-7-methyl-4-oxo-1-prop-2-enyl-6-(3,4,5-trimethoxyphenyl)-8-bicyclo[3.2.1]oct-2-enyl] 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 | 97.39% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.28% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.39% | 85.14% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.11% | 86.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.15% | 99.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.95% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.17% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.06% | 94.45% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.62% | 89.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 84.23% | 95.89% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 84.02% | 96.00% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 83.36% | 91.07% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 82.20% | 89.34% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.18% | 90.00% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 81.40% | 82.38% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.93% | 91.19% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.16% | 94.00% |
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.
| Licaria brasiliensis |
| PubChem | 162946769 |
| LOTUS | LTS0100835 |
| wikiData | Q105004867 |