(16-Acetyloxy-6-ethyl-5-methyl-7-oxo-17-oxapentacyclo[14.2.1.01,13.02,10.05,9]nonadecan-15-yl) acetate
| Internal ID | 3ca5c9f3-fe33-425c-b7ac-759e934b1919 |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Steroid esters |
| IUPAC Name | (16-acetyloxy-6-ethyl-5-methyl-7-oxo-17-oxapentacyclo[14.2.1.01,13.02,10.05,9]nonadecan-15-yl) acetate |
| SMILES (Canonical) | CCC1C(=O)CC2C1(CCC3C2CCC4C35CC(C(C4)OC(=O)C)(OC5)OC(=O)C)C |
| SMILES (Isomeric) | CCC1C(=O)CC2C1(CCC3C2CCC4C35CC(C(C4)OC(=O)C)(OC5)OC(=O)C)C |
| InChI | InChI=1S/C25H36O6/c1-5-18-21(28)11-20-17-7-6-16-10-22(30-14(2)26)25(31-15(3)27)12-24(16,13-29-25)19(17)8-9-23(18,20)4/h16-20,22H,5-13H2,1-4H3 |
| InChI Key | ODKKQQNHCONUGL-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H36O6 |
| Molecular Weight | 432.50 g/mol |
| Exact Mass | 432.25118886 g/mol |
| Topological Polar Surface Area (TPSA) | 78.90 Ų |
| XlogP | 4.10 |
| There are no found synonyms. |
![2D Structure of (16-Acetyloxy-6-ethyl-5-methyl-7-oxo-17-oxapentacyclo[14.2.1.01,13.02,10.05,9]nonadecan-15-yl) acetate](https://plantaedb.com/storage/docs/compounds/2023/11/e7e599a0-8648-11ee-a756-075820668585.jpg "2D Structure of (16-Acetyloxy-6-ethyl-5-methyl-7-oxo-17-oxapentacyclo[14.2.1.01,13.02,10.05,9]nonadecan-15-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 | 97.71% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.61% | 97.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 91.31% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.79% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.40% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.99% | 98.95% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.87% | 100.00% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 87.25% | 96.77% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.44% | 86.33% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 84.20% | 97.28% |
| CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 84.20% | 94.23% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 84.08% | 82.69% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.86% | 92.62% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 83.43% | 95.71% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 82.03% | 97.14% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.66% | 91.19% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 80.64% | 94.08% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 80.21% | 89.05% |
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.
| Trichilia claussenii |
| PubChem | 163091290 |
| LOTUS | LTS0073761 |
| wikiData | Q104193269 |