[6-(1,3-Benzodioxol-5-yl)-3-methoxy-7-methyl-4-oxo-1-prop-2-enyl-8-bicyclo[3.2.1]oct-2-enyl] acetate
| Internal ID | a5648fb9-c2e1-43fd-831e-13d061e82eda |
| Taxonomy | Organoheterocyclic compounds > Benzodioxoles |
| IUPAC Name | [6-(1,3-benzodioxol-5-yl)-3-methoxy-7-methyl-4-oxo-1-prop-2-enyl-8-bicyclo[3.2.1]oct-2-enyl] acetate |
| SMILES (Canonical) | CC1C(C2C(C1(C=C(C2=O)OC)CC=C)OC(=O)C)C3=CC4=C(C=C3)OCO4 |
| SMILES (Isomeric) | CC1C(C2C(C1(C=C(C2=O)OC)CC=C)OC(=O)C)C3=CC4=C(C=C3)OCO4 |
| InChI | InChI=1S/C22H24O6/c1-5-8-22-10-17(25-4)20(24)19(21(22)28-13(3)23)18(12(22)2)14-6-7-15-16(9-14)27-11-26-15/h5-7,9-10,12,18-19,21H,1,8,11H2,2-4H3 |
| InChI Key | OLEWIVTYEADTEE-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H24O6 |
| Molecular Weight | 384.40 g/mol |
| Exact Mass | 384.15728848 g/mol |
| Topological Polar Surface Area (TPSA) | 71.10 Ų |
| XlogP | 3.70 |
| There are no found synonyms. |
![2D Structure of [6-(1,3-Benzodioxol-5-yl)-3-methoxy-7-methyl-4-oxo-1-prop-2-enyl-8-bicyclo[3.2.1]oct-2-enyl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/6-13-benzodioxol-5-yl-3-methoxy-7-methyl-4-oxo-1-prop-2-enyl-8-bicyclo321oct-2-enyl-acetate.jpg "2D Structure of [6-(1,3-Benzodioxol-5-yl)-3-methoxy-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.32% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.94% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.90% | 94.45% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 95.78% | 96.77% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.51% | 86.33% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.97% | 97.09% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 91.29% | 94.80% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 90.51% | 85.14% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 89.75% | 91.19% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 88.91% | 93.40% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.49% | 98.95% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 86.44% | 92.62% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.19% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.02% | 89.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.74% | 90.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.72% | 95.89% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 81.35% | 90.24% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.02% | 100.00% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 80.72% | 93.00% |
| CHEMBL240 | Q12809 | HERG | 80.11% | 89.76% |
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 | 14132434 |
| LOTUS | LTS0215270 |
| wikiData | Q104201424 |