Bipolarin B
| Internal ID | bf93ca4a-1747-4029-ba40-c16db94e42e9 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesterterpenoids > Ophiobolane sesterterpenoids |
| IUPAC Name | (E)-4-[(1'R,2R,3'S,4S,5S,7'R,8'E,11'R)-8'-(hydroxymethyl)-1',4,4'-trimethyl-6'-oxospiro[oxolane-5,12'-tricyclo[9.3.0.03,7]tetradeca-4,8-diene]-2-yl]-3-methylbut-3-enoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C26H36O5/c1-15(10-23(29)30)9-19-12-17(3)26(31-19)8-7-25(4)13-20-16(2)11-21(28)24(20)18(14-27)5-6-22(25)26/h5,9,11,17,19-20,22,24,27H,6-8,10,12-14H2,1-4H3,(H,29,30)/b15-9+,18-5-/t17-,19-,20+,22+,24-,25+,26-/m0/s1 |
| InChI Key | NXTLOBRANFEMDQ-DGKDYZSTSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C26H36O5 |
| Molecular Weight | 428.60 g/mol |
| Exact Mass | 428.25627424 g/mol |
| Topological Polar Surface Area (TPSA) | 83.80 Ų |
| XlogP | 3.00 |
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.85% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.22% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.20% | 95.56% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 88.06% | 90.17% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.97% | 94.45% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.46% | 86.33% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 86.90% | 93.00% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 85.34% | 91.07% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 85.32% | 96.61% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 84.06% | 96.90% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 83.86% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.15% | 97.09% |
| CHEMBL5028 | O14672 | ADAM10 | 82.38% | 97.50% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.06% | 89.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.90% | 99.23% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.31% | 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 | 146683600 |
| LOTUS | LTS0073553 |
| wikiData | Q105187326 |