Pannosane
| Internal ID | 1c04bf51-3d53-45d6-bf44-d1d7e64f0db0 |
| Taxonomy | Organoheterocyclic compounds > Oxolanes |
| IUPAC Name | (1S,1'R,2R,2'R,3R,4R)-2'-bromo-1'-chloro-1,1',3,4-tetramethylspiro[7-oxabicyclo[2.2.1]heptane-2,4'-cyclohexane] |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C15H24BrClO/c1-10-13(3)6-7-14(4,18-13)15(10)8-5-12(2,17)11(16)9-15/h10-11H,5-9H2,1-4H3/t10-,11+,12+,13+,14-,15+/m0/s1 |
| InChI Key | HRAYFOHNJWXJCV-RUDNTAQLSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C15H24BrClO |
| Molecular Weight | 335.71 g/mol |
| Exact Mass | 334.06991 g/mol |
| Topological Polar Surface Area (TPSA) | 9.20 Ų |
| XlogP | 4.30 |
| (1S,1'R,2R,2'R,3R,4R)-2'-bromo-1'-chloro-1,1',3,4-tetramethylspiro(7-oxabicyclo(2.2.1)heptane-2,4'-cyclohexane) |
| (1S,1'R,2R,2'R,3R,4R)-2'-bromo-1'-chloro-1,1',3,4-tetramethylspiro[7-oxabicyclo[2.2.1]heptane-2,4'-cyclohexane] |
| RefChem:169886 |
| 348111-21-7 |
| CHEMBL515800 |
| 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 |
|---|---|---|---|---|
| CHEMBL240 | Q12809 | HERG | 96.40% | 89.76% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 92.40% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.40% | 96.09% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 87.69% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.37% | 91.11% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 86.97% | 90.17% |
| CHEMBL4660 | P28907 | Lymphocyte differentiation antigen CD38 | 86.35% | 95.27% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 85.73% | 96.38% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 84.84% | 96.95% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 84.58% | 97.14% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 83.79% | 94.75% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.22% | 97.09% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 82.18% | 96.77% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 81.64% | 82.69% |
| CHEMBL2039 | P27338 | Monoamine oxidase B | 81.55% | 92.51% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 81.11% | 96.61% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 80.82% | 95.38% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.45% | 100.00% |
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 | 15519440 |
| LOTUS | LTS0056372 |
| wikiData | Q105032547 |