3-Bromo-6-(3-bromopropa-1,2-dienyl)-8,9-dichloro-2-ethyl-2,3,4,4a,6,7,8,9,10,10a-decahydropyrano[3,2-b]oxocine
| Internal ID | 9aadf71d-89fe-48b6-9dd6-65ed12dab100 |
| Taxonomy | Organoheterocyclic compounds > Oxocins |
| IUPAC Name | 3-bromo-6-(3-bromopropa-1,2-dienyl)-8,9-dichloro-2-ethyl-2,3,4,4a,6,7,8,9,10,10a-decahydropyrano[3,2-b]oxocine |
| SMILES (Canonical) | CCC1C(CC2C(O1)CC(C(CC(O2)C=C=CBr)Cl)Cl)Br |
| SMILES (Isomeric) | CCC1C(CC2C(O1)CC(C(CC(O2)C=C=CBr)Cl)Cl)Br |
| InChI | InChI=1S/C15H20Br2Cl2O2/c1-2-13-10(17)7-14-15(21-13)8-12(19)11(18)6-9(20-14)4-3-5-16/h4-5,9-15H,2,6-8H2,1H3 |
| InChI Key | DLWCNRZNBKQLBS-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H20Br2Cl2O2 |
| Molecular Weight | 463.00 g/mol |
| Exact Mass | 461.91866 g/mol |
| Topological Polar Surface Area (TPSA) | 18.50 Ų |
| XlogP | 4.40 |
| There are no found synonyms. |
![2D Structure of 3-Bromo-6-(3-bromopropa-1,2-dienyl)-8,9-dichloro-2-ethyl-2,3,4,4a,6,7,8,9,10,10a-decahydropyrano[3,2-b]oxocine](https://plantaedb.com/storage/docs/compounds/2023/11/898acb80-83ff-11ee-ab0f-51136896e52f.jpg "2D Structure of 3-Bromo-6-(3-bromopropa-1,2-dienyl)-8,9-dichloro-2-ethyl-2,3,4,4a,6,7,8,9,10,10a-decahydropyrano[3,2-b]oxocine")
| 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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.10% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.11% | 96.09% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 90.30% | 96.61% |
| CHEMBL228 | P31645 | Serotonin transporter | 89.71% | 95.51% |
| CHEMBL240 | Q12809 | HERG | 89.15% | 89.76% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 86.53% | 89.34% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 86.41% | 95.93% |
| CHEMBL1075162 | Q13304 | Uracil nucleotide/cysteinyl leukotriene receptor | 86.00% | 80.33% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 85.99% | 96.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.37% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.01% | 97.09% |
| CHEMBL1871 | P10275 | Androgen Receptor | 80.17% | 96.43% |
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 | 73999854 |
| LOTUS | LTS0192126 |
| wikiData | Q104984774 |