[6-(1,3-Benzodioxol-5-yl)-5-hydroxy-3-methoxy-7-methyl-4-oxo-1-prop-2-enyl-8-bicyclo[3.2.1]oct-2-enyl] acetate
| Internal ID | f5da62b5-265a-4e08-ac95-bfec91fae3ab |
| Taxonomy | Organoheterocyclic compounds > Benzodioxoles |
| IUPAC Name | [6-(1,3-benzodioxol-5-yl)-5-hydroxy-3-methoxy-7-methyl-4-oxo-1-prop-2-enyl-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)O)C3=CC4=C(C=C3)OCO4 |
| SMILES (Isomeric) | CC1C(C2(C(C1(C=C(C2=O)OC)CC=C)OC(=O)C)O)C3=CC4=C(C=C3)OCO4 |
| InChI | InChI=1S/C22H24O7/c1-5-8-21-10-17(26-4)19(24)22(25,20(21)29-13(3)23)18(12(21)2)14-6-7-15-16(9-14)28-11-27-15/h5-7,9-10,12,18,20,25H,1,8,11H2,2-4H3 |
| InChI Key | QKLCVHOHVAXBNF-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H24O7 |
| Molecular Weight | 400.40 g/mol |
| Exact Mass | 400.15220310 g/mol |
| Topological Polar Surface Area (TPSA) | 91.30 Ų |
| XlogP | 3.00 |
| There are no found synonyms. |
![2D Structure of [6-(1,3-Benzodioxol-5-yl)-5-hydroxy-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/2023/11/1c321e80-872e-11ee-83ed-89a69321882e.jpg "2D Structure of [6-(1,3-Benzodioxol-5-yl)-5-hydroxy-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 | 99.67% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.91% | 96.09% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 96.86% | 96.77% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.47% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.82% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.34% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.98% | 89.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.81% | 97.09% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 91.81% | 94.80% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 88.96% | 91.19% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 86.46% | 85.14% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 86.15% | 95.89% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 85.86% | 92.62% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 85.84% | 90.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.96% | 100.00% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 83.83% | 91.49% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 82.65% | 97.28% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.46% | 95.89% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 80.94% | 95.56% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.18% | 96.00% |
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 armeniaca |
| PubChem | 163046238 |
| LOTUS | LTS0270592 |
| wikiData | Q105223184 |