[15-[5-(3,3-Dimethyloxiran-2-yl)-2-hydroxyoxolan-3-yl]-3-hydroxy-2,6,6,10-tetramethyl-7-pentacyclo[12.3.1.01,14.02,11.05,10]octadecanyl] 2-methylpropanoate
| Internal ID | 21b1c108-09d4-4e39-bacb-3eec7daeb36c |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids > Limonoids |
| IUPAC Name | [15-[5-(3,3-dimethyloxiran-2-yl)-2-hydroxyoxolan-3-yl]-3-hydroxy-2,6,6,10-tetramethyl-7-pentacyclo[12.3.1.01,14.02,11.05,10]octadecanyl] 2-methylpropanoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C34H54O6/c1-18(2)27(36)39-25-11-12-31(7)22-10-13-33-17-34(33,32(22,8)24(35)16-23(31)29(25,3)4)14-9-20(33)19-15-21(38-28(19)37)26-30(5,6)40-26/h18-26,28,35,37H,9-17H2,1-8H3 |
| InChI Key | ZCJRKMHKQYPKOQ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C34H54O6 |
| Molecular Weight | 558.80 g/mol |
| Exact Mass | 558.39203944 g/mol |
| Topological Polar Surface Area (TPSA) | 88.50 Ų |
| XlogP | 6.80 |
| There are no found synonyms. |
![2D Structure of [15-[5-(3,3-Dimethyloxiran-2-yl)-2-hydroxyoxolan-3-yl]-3-hydroxy-2,6,6,10-tetramethyl-7-pentacyclo[12.3.1.01,14.02,11.05,10]octadecanyl] 2-methylpropanoate](https://plantaedb.com/storage/docs/compounds/2023/11/c56c19f0-8581-11ee-8aa2-f7deea5287f9.jpg "2D Structure of [15-[5-(3,3-Dimethyloxiran-2-yl)-2-hydroxyoxolan-3-yl]-3-hydroxy-2,6,6,10-tetramethyl-7-pentacyclo[12.3.1.01,14.02,11.05,10]octadecanyl] 2-methylpropanoate")
| 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 |
|---|---|---|---|---|
| CHEMBL204 | P00734 | Thrombin | 98.35% | 96.01% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.69% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.59% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.07% | 91.11% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 92.60% | 98.75% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.15% | 97.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.95% | 94.45% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 90.01% | 98.03% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 89.65% | 96.38% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 89.60% | 91.19% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 88.74% | 100.00% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 88.25% | 95.71% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 88.02% | 96.47% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 88.00% | 92.62% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 87.15% | 90.17% |
| CHEMBL4005 | P42336 | PI3-kinase p110-alpha subunit | 86.84% | 97.47% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 86.74% | 82.50% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 86.04% | 98.10% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 85.71% | 96.21% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 85.48% | 89.05% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.12% | 89.00% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 83.74% | 95.50% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 83.31% | 96.61% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 82.84% | 96.77% |
| CHEMBL3837 | P07711 | Cathepsin L | 81.62% | 96.61% |
| CHEMBL2534 | O15530 | 3-phosphoinositide dependent protein kinase-1 | 81.23% | 95.36% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 81.22% | 96.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.20% | 95.56% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 81.13% | 92.50% |
| CHEMBL5028 | O14672 | ADAM10 | 80.06% | 97.50% |
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.
| Owenia acidula |
| PubChem | 162910560 |
| LOTUS | LTS0123343 |
| wikiData | Q105371179 |