[15-[1-(Dimethylamino)ethyl]-4-hydroxy-2,16-dimethyl-5-(2-methylbut-2-enoylamino)-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadecan-6-yl] acetate
| Internal ID | b7714936-0e01-4183-8d18-2dc1c049df57 |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Steroid esters |
| IUPAC Name | [15-[1-(dimethylamino)ethyl]-4-hydroxy-2,16-dimethyl-5-(2-methylbut-2-enoylamino)-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadecan-6-yl] acetate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C30H48N2O5/c1-9-16(2)27(35)31-25-23(34)15-29(6)22-12-13-28(5)20(17(3)32(7)8)10-11-21(28)19(22)14-24-30(29,37-24)26(25)36-18(4)33/h9,17,19-26,34H,10-15H2,1-8H3,(H,31,35) |
| InChI Key | RRIHUBBCYOKLFC-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H48N2O5 |
| Molecular Weight | 516.70 g/mol |
| Exact Mass | 516.35632264 g/mol |
| Topological Polar Surface Area (TPSA) | 91.40 Ų |
| XlogP | 4.30 |
| There are no found synonyms. |
![2D Structure of [15-[1-(Dimethylamino)ethyl]-4-hydroxy-2,16-dimethyl-5-(2-methylbut-2-enoylamino)-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadecan-6-yl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/1e310da0-8576-11ee-bc50-992dd324bd92.jpg "2D Structure of [15-[1-(Dimethylamino)ethyl]-4-hydroxy-2,16-dimethyl-5-(2-methylbut-2-enoylamino)-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadecan-6-yl] acetate")
| 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 | 98.31% | 96.09% |
| CHEMBL204 | P00734 | Thrombin | 96.26% | 96.01% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 94.68% | 91.19% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.99% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.75% | 94.45% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 91.14% | 97.25% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 90.89% | 98.75% |
| CHEMBL4005 | P42336 | PI3-kinase p110-alpha subunit | 90.32% | 97.47% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 90.10% | 85.31% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 89.85% | 96.61% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 89.32% | 96.77% |
| CHEMBL3837 | P07711 | Cathepsin L | 88.94% | 96.61% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 88.38% | 98.10% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 87.89% | 91.03% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.57% | 98.95% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 87.14% | 97.28% |
| CHEMBL1871 | P10275 | Androgen Receptor | 86.90% | 96.43% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 86.79% | 82.50% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 86.50% | 95.71% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 86.41% | 93.00% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 86.30% | 90.17% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 86.22% | 97.14% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 86.14% | 96.38% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.13% | 100.00% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 86.10% | 100.00% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 85.99% | 94.33% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 85.98% | 85.14% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 85.97% | 95.89% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 85.61% | 82.69% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 85.21% | 92.88% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 84.51% | 89.50% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.35% | 99.23% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.12% | 97.09% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 83.22% | 95.93% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.14% | 89.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.95% | 92.62% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 82.47% | 95.50% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.21% | 95.89% |
| CHEMBL2534 | O15530 | 3-phosphoinositide dependent protein kinase-1 | 81.98% | 95.36% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 81.75% | 92.98% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 81.67% | 93.56% |
| CHEMBL5028 | O14672 | ADAM10 | 80.45% | 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.
| Sarcococca saligna |
| PubChem | 85244783 |
| LOTUS | LTS0165740 |
| wikiData | Q104888811 |