[15-(4-Ethyl-6-methyl-5-methylideneheptan-2-yl)-7,7,12,16-tetramethyl-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] acetate
| Internal ID | 9190ffc3-a3ec-414f-812e-c2cb2fd697dc |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Cycloartanols and derivatives |
| IUPAC Name | [15-(4-ethyl-6-methyl-5-methylideneheptan-2-yl)-7,7,12,16-tetramethyl-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] acetate |
| SMILES (Canonical) | CCC(CC(C)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)OC(=O)C)C)C)C(=C)C(C)C |
| SMILES (Isomeric) | CCC(CC(C)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)OC(=O)C)C)C)C(=C)C(C)C |
| InChI | InChI=1S/C35H58O2/c1-11-26(24(5)22(2)3)20-23(4)27-14-16-33(10)29-13-12-28-31(7,8)30(37-25(6)36)15-17-34(28)21-35(29,34)19-18-32(27,33)9/h22-23,26-30H,5,11-21H2,1-4,6-10H3 |
| InChI Key | JCUQAHJLHYMFBZ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C35H58O2 |
| Molecular Weight | 510.80 g/mol |
| Exact Mass | 510.44368109 g/mol |
| Topological Polar Surface Area (TPSA) | 26.30 Ų |
| XlogP | 11.80 |
| There are no found synonyms. |
![2D Structure of [15-(4-Ethyl-6-methyl-5-methylideneheptan-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/2023/11/450d6350-85cb-11ee-8b27-0bb1b1f86e9a.jpg "2D Structure of [15-(4-Ethyl-6-methyl-5-methylideneheptan-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 | 99.22% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.77% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.44% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.89% | 98.95% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 93.75% | 96.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.63% | 94.45% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 90.36% | 98.75% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 88.47% | 91.19% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 88.27% | 92.62% |
| CHEMBL3837 | P07711 | Cathepsin L | 87.51% | 96.61% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 86.64% | 96.47% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 86.44% | 95.17% |
| CHEMBL4005 | P42336 | PI3-kinase p110-alpha subunit | 84.73% | 97.47% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.12% | 97.09% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 83.83% | 96.09% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 83.83% | 100.00% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 83.76% | 93.00% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 83.51% | 95.71% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 82.80% | 82.50% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 82.68% | 89.50% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 82.14% | 96.61% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 82.12% | 100.00% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 81.84% | 95.50% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.26% | 95.89% |
| CHEMBL268 | P43235 | Cathepsin K | 81.10% | 96.85% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.92% | 100.00% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 80.07% | 82.69% |
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.
| Murraya paniculata |
| PubChem | 162880819 |
| LOTUS | LTS0227369 |
| wikiData | Q105125134 |