5-Oct-2-enyl-1,3-benzodioxole
| Internal ID | 2f645de7-1792-43b5-af93-f7d3b2990881 |
| Taxonomy | Organoheterocyclic compounds > Benzodioxoles |
| IUPAC Name | 5-oct-2-enyl-1,3-benzodioxole |
| SMILES (Canonical) | CCCCCC=CCC1=CC2=C(C=C1)OCO2 |
| SMILES (Isomeric) | CCCCCC=CCC1=CC2=C(C=C1)OCO2 |
| InChI | InChI=1S/C15H20O2/c1-2-3-4-5-6-7-8-13-9-10-14-15(11-13)17-12-16-14/h6-7,9-11H,2-5,8,12H2,1H3 |
| InChI Key | DXAOUCKABRGQIV-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H20O2 |
| Molecular Weight | 232.32 g/mol |
| Exact Mass | 232.146329876 g/mol |
| Topological Polar Surface Area (TPSA) | 18.50 Ų |
| XlogP | 5.20 |
| There are no found synonyms. |
| 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 |
|---|---|---|---|---|
| CHEMBL2039 | P27338 | Monoamine oxidase B | 98.84% | 92.51% |
| CHEMBL240 | Q12809 | HERG | 97.76% | 89.76% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.58% | 98.95% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 96.52% | 94.80% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.51% | 94.45% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 95.32% | 92.08% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 94.69% | 99.17% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.62% | 91.11% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 91.78% | 96.77% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 89.52% | 94.73% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.31% | 86.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 84.90% | 96.09% |
| CHEMBL239 | Q07869 | Peroxisome proliferator-activated receptor alpha | 84.45% | 90.75% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.61% | 95.56% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 82.57% | 96.95% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 82.35% | 85.30% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.01% | 92.62% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 81.22% | 80.96% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.06% | 95.89% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 80.70% | 97.00% |
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.
| Piper marginatum |
| PubChem | 162962099 |
| LOTUS | LTS0067789 |
| wikiData | Q104990884 |