[(1S,5R,6S,7R,8R)-6-(3,4-dimethoxyphenyl)-3,5-dimethoxy-7-methyl-4-oxo-1-prop-2-enyl-8-bicyclo[3.2.1]oct-2-enyl] acetate
| Internal ID | ccaaf599-b2f2-4865-9393-dfec93036f62 |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Methoxybenzenes > Dimethoxybenzenes |
| IUPAC Name | [(1S,5R,6S,7R,8R)-6-(3,4-dimethoxyphenyl)-3,5-dimethoxy-7-methyl-4-oxo-1-prop-2-enyl-8-bicyclo[3.2.1]oct-2-enyl] acetate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C24H30O7/c1-8-11-23-13-19(29-6)21(26)24(30-7,22(23)31-15(3)25)20(14(23)2)16-9-10-17(27-4)18(12-16)28-5/h8-10,12-14,20,22H,1,11H2,2-7H3/t14-,20+,22-,23-,24+/m1/s1 |
| InChI Key | WQMZXPQWELBFGH-FJVRLPBPSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C24H30O7 |
| Molecular Weight | 430.50 g/mol |
| Exact Mass | 430.19915329 g/mol |
| Topological Polar Surface Area (TPSA) | 80.30 Ų |
| XlogP | 3.60 |
| There are no found synonyms. |
![2D Structure of [(1S,5R,6S,7R,8R)-6-(3,4-dimethoxyphenyl)-3,5-dimethoxy-7-methyl-4-oxo-1-prop-2-enyl-8-bicyclo[3.2.1]oct-2-enyl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/e80c6ca0-86b8-11ee-b783-9f703e7eb350.jpg "2D Structure of [(1S,5R,6S,7R,8R)-6-(3,4-dimethoxyphenyl)-3,5-dimethoxy-7-methyl-4-oxo-1-prop-2-enyl-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 | 98.04% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.44% | 85.14% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.88% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.78% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.79% | 98.95% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 86.63% | 90.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 86.04% | 92.94% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 85.67% | 96.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.87% | 89.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.79% | 99.17% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 82.64% | 90.20% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 82.47% | 89.62% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 82.35% | 95.89% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.15% | 95.56% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 81.84% | 91.07% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.29% | 91.19% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.81% | 95.89% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.54% | 94.45% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.37% | 94.00% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 80.20% | 91.49% |
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.
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| There are no matching plants. |
| PubChem | 162904119 |
| LOTUS | LTS0175095 |
| wikiData | Q105310870 |