[10-Acetyloxy-2,16-dimethyl-15-(6-methylheptan-2-yl)-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-11-en-5-yl] acetate
| Internal ID | 72dbf87c-1394-4f03-82fd-40c5c27528d1 |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Cholestane steroids |
| IUPAC Name | [10-acetyloxy-2,16-dimethyl-15-(6-methylheptan-2-yl)-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-11-en-5-yl] acetate |
| SMILES (Canonical) | CC(C)CCCC(C)C1CCC2=C3C(CCC12C)C4(CCC(CC45C(C3OC(=O)C)O5)OC(=O)C)C |
| SMILES (Isomeric) | CC(C)CCCC(C)C1CCC2=C3C(CCC12C)C4(CCC(CC45C(C3OC(=O)C)O5)OC(=O)C)C |
| InChI | InChI=1S/C31H48O5/c1-18(2)9-8-10-19(3)23-11-12-24-26-25(14-15-29(23,24)6)30(7)16-13-22(34-20(4)32)17-31(30)28(36-31)27(26)35-21(5)33/h18-19,22-23,25,27-28H,8-17H2,1-7H3 |
| InChI Key | MUCPRTGNBQKRHP-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C31H48O5 |
| Molecular Weight | 500.70 g/mol |
| Exact Mass | 500.35017463 g/mol |
| Topological Polar Surface Area (TPSA) | 65.10 Ų |
| XlogP | 6.80 |
| There are no found synonyms. |
![2D Structure of [10-Acetyloxy-2,16-dimethyl-15-(6-methylheptan-2-yl)-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-11-en-5-yl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/93b9baf0-8515-11ee-85c5-85dbcee914a7.jpg "2D Structure of [10-Acetyloxy-2,16-dimethyl-15-(6-methylheptan-2-yl)-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-11-en-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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 99.09% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 98.43% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.06% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.60% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.38% | 98.95% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 91.87% | 82.69% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 91.44% | 98.10% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 91.33% | 92.62% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 90.59% | 93.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.27% | 97.09% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 89.16% | 95.89% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 86.92% | 89.05% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.89% | 100.00% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 85.49% | 100.00% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 84.65% | 95.50% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 84.11% | 95.71% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.02% | 95.89% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 83.50% | 97.50% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.29% | 99.17% |
| CHEMBL2094135 | Q96BI3 | Gamma-secretase | 83.26% | 98.05% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 82.80% | 100.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.29% | 91.19% |
| CHEMBL3975 | P09467 | Fructose-1,6-bisphosphatase | 82.27% | 92.95% |
| CHEMBL3837 | P07711 | Cathepsin L | 82.22% | 96.61% |
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 | 74000094 |
| LOTUS | LTS0191238 |
| wikiData | Q105172161 |