2',4-Dibromo-1'-chloro-1,1',3,3-tetramethylspiro[7-oxabicyclo[4.1.0]heptane-2,4'-cyclohexane]
| Internal ID | c4a4be62-a6b1-4e75-9f29-d93d002209fe |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Chamigranes |
| IUPAC Name | 2',4-dibromo-1'-chloro-1,1',3,3-tetramethylspiro[7-oxabicyclo[4.1.0]heptane-2,4'-cyclohexane] |
| SMILES (Canonical) | CC1(C(CC2C(C13CCC(C(C3)Br)(C)Cl)(O2)C)Br)C |
| SMILES (Isomeric) | CC1(C(CC2C(C13CCC(C(C3)Br)(C)Cl)(O2)C)Br)C |
| InChI | InChI=1S/C15H23Br2ClO/c1-12(2)9(16)7-11-14(4,19-11)15(12)6-5-13(3,18)10(17)8-15/h9-11H,5-8H2,1-4H3 |
| InChI Key | XHGHPMZGEBNXLW-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H23Br2ClO |
| Molecular Weight | 414.60 g/mol |
| Exact Mass | 413.97837 g/mol |
| Topological Polar Surface Area (TPSA) | 12.50 Ų |
| XlogP | 4.90 |
| There are no found synonyms. |
![2D Structure of 2',4-Dibromo-1'-chloro-1,1',3,3-tetramethylspiro[7-oxabicyclo[4.1.0]heptane-2,4'-cyclohexane]](https://plantaedb.com/storage/docs/compounds/2023/11/24-dibromo-1-chloro-1133-tetramethylspiro7-oxabicyclo410heptane-24-cyclohexane.jpg "2D Structure of 2',4-Dibromo-1'-chloro-1,1',3,3-tetramethylspiro[7-oxabicyclo[4.1.0]heptane-2,4'-cyclohexane]")
| 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 | 96.08% | 92.51% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.41% | 96.09% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 90.34% | 92.29% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 89.52% | 97.25% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 89.32% | 96.61% |
| CHEMBL4660 | P28907 | Lymphocyte differentiation antigen CD38 | 85.32% | 95.27% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 85.23% | 95.38% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 84.78% | 90.17% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 83.35% | 96.21% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 82.90% | 85.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.70% | 97.09% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 82.44% | 96.77% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.95% | 95.89% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.40% | 94.45% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.24% | 94.00% |
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.
| There are no matching plants. |
| PubChem | 5259728 |
| LOTUS | LTS0072138 |
| wikiData | Q104200983 |