[15-(5-Acetyloxy-6-methylhept-6-en-2-yl)-7,7,12,16-tetramethyl-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] acetate
| Internal ID | 00cac624-bcf3-42f8-b532-30b6436c4ee4 |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Cycloartanols and derivatives |
| IUPAC Name | [15-(5-acetyloxy-6-methylhept-6-en-2-yl)-7,7,12,16-tetramethyl-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] acetate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C34H54O4/c1-21(2)26(37-23(4)35)11-10-22(3)25-14-16-32(9)28-13-12-27-30(6,7)29(38-24(5)36)15-17-33(27)20-34(28,33)19-18-31(25,32)8/h22,25-29H,1,10-20H2,2-9H3 |
| InChI Key | ZXVNYYJTAHVDGQ-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C34H54O4 |
| Molecular Weight | 526.80 g/mol |
| Exact Mass | 526.40221020 g/mol |
| Topological Polar Surface Area (TPSA) | 52.60 Ų |
| XlogP | 9.80 |
| There are no found synonyms. |
![2D Structure of [15-(5-Acetyloxy-6-methylhept-6-en-2-yl)-7,7,12,16-tetramethyl-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/b1aa7400-8531-11ee-b0a1-6de83c27d66a.jpg "2D Structure of [15-(5-Acetyloxy-6-methylhept-6-en-2-yl)-7,7,12,16-tetramethyl-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] 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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.55% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.32% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.31% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.85% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.71% | 98.95% |
| CHEMBL233 | P35372 | Mu opioid receptor | 89.91% | 97.93% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 89.29% | 91.19% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 88.07% | 82.69% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 86.33% | 93.00% |
| CHEMBL3837 | P07711 | Cathepsin L | 86.22% | 96.61% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 83.95% | 100.00% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 83.92% | 95.71% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 83.33% | 98.75% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 83.19% | 94.78% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 82.58% | 100.00% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 82.46% | 89.50% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 82.11% | 96.95% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 81.82% | 95.17% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.09% | 97.09% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.95% | 92.62% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.84% | 95.89% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 80.67% | 93.56% |
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.
| Euphorbia oxyphylla |
| PubChem | 72981343 |
| LOTUS | LTS0210707 |
| wikiData | Q105385818 |