[7-(4-Hydroxy-3,5-dimethoxyphenyl)-1,3-dimethoxy-6-methyl-8-oxo-5-prop-2-enyl-2-bicyclo[3.2.1]oct-3-enyl] acetate
| Internal ID | 5e024cf5-43ed-44ed-af7a-f134b0cfef19 |
| Taxonomy | Benzenoids > Phenols > Methoxyphenols |
| IUPAC Name | [7-(4-hydroxy-3,5-dimethoxyphenyl)-1,3-dimethoxy-6-methyl-8-oxo-5-prop-2-enyl-2-bicyclo[3.2.1]oct-3-enyl] acetate |
| SMILES (Canonical) | CC1C(C2(C(C(=CC1(C2=O)CC=C)OC)OC(=O)C)OC)C3=CC(=C(C(=C3)OC)O)OC |
| SMILES (Isomeric) | CC1C(C2(C(C(=CC1(C2=O)CC=C)OC)OC(=O)C)OC)C3=CC(=C(C(=C3)OC)O)OC |
| InChI | InChI=1S/C24H30O8/c1-8-9-23-12-18(30-6)21(32-14(3)25)24(31-7,22(23)27)19(13(23)2)15-10-16(28-4)20(26)17(11-15)29-5/h8,10-13,19,21,26H,1,9H2,2-7H3 |
| InChI Key | RXBHGJYIXJBMAJ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C24H30O8 |
| Molecular Weight | 446.50 g/mol |
| Exact Mass | 446.19406791 g/mol |
| Topological Polar Surface Area (TPSA) | 101.00 Ų |
| XlogP | 2.60 |
| There are no found synonyms. |
![2D Structure of [7-(4-Hydroxy-3,5-dimethoxyphenyl)-1,3-dimethoxy-6-methyl-8-oxo-5-prop-2-enyl-2-bicyclo[3.2.1]oct-3-enyl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/c31e0440-85b0-11ee-ad33-db6a76004416.jpg "2D Structure of [7-(4-Hydroxy-3,5-dimethoxyphenyl)-1,3-dimethoxy-6-methyl-8-oxo-5-prop-2-enyl-2-bicyclo[3.2.1]oct-3-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.59% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.56% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.35% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.76% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.80% | 94.45% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 91.81% | 92.94% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.71% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.87% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.20% | 89.00% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 87.19% | 94.42% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 86.84% | 91.19% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.10% | 90.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 83.31% | 95.89% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 83.28% | 91.07% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 82.32% | 96.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 81.33% | 94.73% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.48% | 99.17% |
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.
| Ocotea porosa |
| PubChem | 163074816 |
| LOTUS | LTS0164684 |
| wikiData | Q105246901 |