[15-[1-[5-Acetyloxy-4-(2-hydroxypropan-2-yl)oxolan-2-yl]ethyl]-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadecan-5-yl] acetate
| Internal ID | 0f0074bd-00b5-4826-b15f-b13a06727a42 |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Steroid esters |
| IUPAC Name | [15-[1-[5-acetyloxy-4-(2-hydroxypropan-2-yl)oxolan-2-yl]ethyl]-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadecan-5-yl] acetate |
| SMILES (Canonical) | CC(C1CCC2C1(CCC3C2CC4C5(C3(CCC(C5)OC(=O)C)C)O4)C)C6CC(C(O6)OC(=O)C)C(C)(C)O |
| SMILES (Isomeric) | CC(C1CCC2C1(CCC3C2CC4C5(C3(CCC(C5)OC(=O)C)C)O4)C)C6CC(C(O6)OC(=O)C)C(C)(C)O |
| InChI | InChI=1S/C32H50O7/c1-17(26-15-25(29(4,5)35)28(38-26)37-19(3)34)22-8-9-23-21-14-27-32(39-27)16-20(36-18(2)33)10-13-31(32,7)24(21)11-12-30(22,23)6/h17,20-28,35H,8-16H2,1-7H3 |
| InChI Key | LWMRLUIXRFFTAX-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C32H50O7 |
| Molecular Weight | 546.70 g/mol |
| Exact Mass | 546.35565393 g/mol |
| Topological Polar Surface Area (TPSA) | 94.60 Ų |
| XlogP | 5.90 |
| There are no found synonyms. |
![2D Structure of [15-[1-[5-Acetyloxy-4-(2-hydroxypropan-2-yl)oxolan-2-yl]ethyl]-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadecan-5-yl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/0cb1b720-8553-11ee-b7ab-eb493773b046.jpg "2D Structure of [15-[1-[5-Acetyloxy-4-(2-hydroxypropan-2-yl)oxolan-2-yl]ethyl]-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadecan-5-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 |
|---|---|---|---|---|
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 98.66% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.39% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 98.35% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.41% | 96.09% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 93.14% | 96.21% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 91.29% | 97.14% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 91.00% | 96.77% |
| CHEMBL284 | P27487 | Dipeptidyl peptidase IV | 90.69% | 95.69% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 90.58% | 100.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 90.18% | 96.95% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 90.03% | 96.38% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 89.12% | 95.89% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 88.93% | 85.14% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 88.63% | 91.19% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 88.16% | 93.04% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.17% | 98.95% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 86.28% | 100.00% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 85.99% | 95.71% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 85.97% | 85.31% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 85.77% | 82.69% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.44% | 97.09% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 83.88% | 89.05% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 83.86% | 89.50% |
| CHEMBL5028 | O14672 | ADAM10 | 83.59% | 97.50% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.49% | 95.89% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.28% | 92.62% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.67% | 89.00% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 82.62% | 97.28% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.40% | 86.33% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 81.79% | 97.79% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 81.44% | 91.03% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.37% | 99.23% |
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 | 163033936 |
| LOTUS | LTS0060586 |
| wikiData | Q105158406 |