Asbestinin epoxide
| Internal ID | c83cd7fa-afc2-421a-8a11-6d98cad6e1d6 |
| Taxonomy | Organoheterocyclic compounds > Oxepanes |
| IUPAC Name | (12-acetyloxy-5,8,11,16-tetramethyl-10,15,19-trioxapentacyclo[9.8.0.02,7.03,18.014,16]nonadecan-4-yl) butanoate |
| SMILES (Canonical) | CCCC(=O)OC1C(CC2C(COC3(C(CC4C(O4)(CC5C1C2C3O5)C)OC(=O)C)C)C)C |
| SMILES (Isomeric) | CCCC(=O)OC1C(CC2C(COC3(C(CC4C(O4)(CC5C1C2C3O5)C)OC(=O)C)C)C)C |
| InChI | InChI=1S/C26H40O7/c1-7-8-20(28)32-23-13(2)9-16-14(3)12-29-26(6)19(30-15(4)27)10-18-25(5,33-18)11-17-22(23)21(16)24(26)31-17/h13-14,16-19,21-24H,7-12H2,1-6H3 |
| InChI Key | HSPKSGFGRMIQIE-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C26H40O7 |
| Molecular Weight | 464.60 g/mol |
| Exact Mass | 464.27740361 g/mol |
| Topological Polar Surface Area (TPSA) | 83.60 Ų |
| XlogP | 3.50 |
| Asbestinin epoxide |
| DTXSID60997321 |
| 3-(Acetyloxy)-4,8,11a,13-tetramethyltetradecahydro-5,10-epoxy-4,6-(epoxyethano)benzo[5,6]cyclodeca[1,2-b]oxiren-9-yl butanoate |
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.89% | 96.09% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 95.93% | 96.61% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.33% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.22% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.73% | 85.14% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 91.35% | 96.95% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 90.85% | 91.19% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.33% | 97.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.59% | 86.33% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.38% | 94.45% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 87.68% | 82.50% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 86.81% | 92.50% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 86.65% | 92.62% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.99% | 89.00% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 84.85% | 98.59% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 84.65% | 96.21% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 84.45% | 95.50% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 83.46% | 98.03% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 83.24% | 89.05% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.74% | 99.17% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.32% | 100.00% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 82.19% | 97.28% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 80.89% | 94.33% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.51% | 97.14% |
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 | 186923 |
| LOTUS | LTS0212466 |
| wikiData | Q82989401 |