6-Bromo-2-[3-(14-bromo-1,8,13,13-tetramethyl-2,7,12-trioxatricyclo[9.5.0.03,8]hexadecan-6-yl)-3-hydroxybutyl]-3,7,7-trimethyloxepan-3-ol
| Internal ID | c635c3d4-5bf7-4306-ae3d-4e7abe50d506 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | 6-bromo-2-[3-(14-bromo-1,8,13,13-tetramethyl-2,7,12-trioxatricyclo[9.5.0.03,8]hexadecan-6-yl)-3-hydroxybutyl]-3,7,7-trimethyloxepan-3-ol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C30H52Br2O6/c1-25(2)19(31)11-15-27(5,33)22(35-25)13-16-28(6,34)21-9-10-23-30(8,37-21)18-14-24-29(7,38-23)17-12-20(32)26(3,4)36-24/h19-24,33-34H,9-18H2,1-8H3 |
| InChI Key | HQWJZHVIHPJUEI-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H52Br2O6 |
| Molecular Weight | 668.50 g/mol |
| Exact Mass | 668.21102 g/mol |
| Topological Polar Surface Area (TPSA) | 77.40 Ų |
| XlogP | 5.10 |
| There are no found synonyms. |
![2D Structure of 6-Bromo-2-[3-(14-bromo-1,8,13,13-tetramethyl-2,7,12-trioxatricyclo[9.5.0.03,8]hexadecan-6-yl)-3-hydroxybutyl]-3,7,7-trimethyloxepan-3-ol](https://plantaedb.com/storage/docs/compounds/2023/11/c75f9c70-867c-11ee-bc2d-79fe6cbffb9d.jpg "2D Structure of 6-Bromo-2-[3-(14-bromo-1,8,13,13-tetramethyl-2,7,12-trioxatricyclo[9.5.0.03,8]hexadecan-6-yl)-3-hydroxybutyl]-3,7,7-trimethyloxepan-3-ol")
| 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 | 99.27% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.33% | 96.09% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 94.61% | 96.61% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.68% | 97.09% |
| CHEMBL233 | P35372 | Mu opioid receptor | 88.66% | 97.93% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 88.04% | 97.28% |
| CHEMBL204 | P00734 | Thrombin | 86.07% | 96.01% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 86.04% | 98.10% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.59% | 98.95% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 85.43% | 97.14% |
| CHEMBL1871 | P10275 | Androgen Receptor | 84.91% | 96.43% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 84.07% | 95.50% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.70% | 95.89% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 82.18% | 91.11% |
| CHEMBL236 | P41143 | Delta opioid receptor | 82.03% | 99.35% |
| CHEMBL3384 | Q16512 | Protein kinase N1 | 81.54% | 80.71% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 80.97% | 92.94% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.47% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 80.21% | 95.56% |
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 | 73108641 |
| LOTUS | LTS0069703 |
| wikiData | Q105032470 |