[15-(5-Ethyl-6-methylhept-3-en-2-yl)-7,12,16-trimethyl-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] acetate
| Internal ID | 34046a4d-8539-44ae-bc50-757053333b3e |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Cycloartanols and derivatives |
| IUPAC Name | [15-(5-ethyl-6-methylhept-3-en-2-yl)-7,12,16-trimethyl-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] acetate |
| SMILES (Canonical) | CCC(C=CC(C)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5C)OC(=O)C)C)C)C(C)C |
| SMILES (Isomeric) | CCC(C=CC(C)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5C)OC(=O)C)C)C)C(C)C |
| InChI | InChI=1S/C33H54O2/c1-9-25(21(2)3)11-10-22(4)26-14-16-31(8)29-13-12-27-23(5)28(35-24(6)34)15-17-32(27)20-33(29,32)19-18-30(26,31)7/h10-11,21-23,25-29H,9,12-20H2,1-8H3 |
| InChI Key | WENHZJZHSCAYHJ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C33H54O2 |
| Molecular Weight | 482.80 g/mol |
| Exact Mass | 482.412380961 g/mol |
| Topological Polar Surface Area (TPSA) | 26.30 Ų |
| XlogP | 10.40 |
| There are no found synonyms. |
![2D Structure of [15-(5-Ethyl-6-methylhept-3-en-2-yl)-7,12,16-trimethyl-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/4850b210-856c-11ee-aea2-6fde97d277ac.jpg "2D Structure of [15-(5-Ethyl-6-methylhept-3-en-2-yl)-7,12,16-trimethyl-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 | 98.77% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.74% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.68% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.01% | 91.11% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 91.95% | 96.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.14% | 94.45% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 89.52% | 90.17% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 88.09% | 96.38% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 87.97% | 96.77% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 87.06% | 98.75% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 86.93% | 95.58% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 86.70% | 100.00% |
| CHEMBL236 | P41143 | Delta opioid receptor | 86.59% | 99.35% |
| CHEMBL4072 | P07858 | Cathepsin B | 86.57% | 93.67% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.23% | 97.09% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 85.79% | 95.71% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 85.17% | 95.71% |
| CHEMBL3837 | P07711 | Cathepsin L | 85.03% | 96.61% |
| CHEMBL2095194 | P08709 | Coagulation factor VII/tissue factor | 84.65% | 99.17% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 84.60% | 89.50% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.76% | 91.19% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 83.76% | 97.79% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 83.74% | 99.18% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 82.79% | 92.86% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 82.35% | 93.56% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 81.46% | 85.30% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.42% | 95.89% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.98% | 99.17% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 80.26% | 97.50% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.02% | 100.00% |
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.
| Nervilia plicata |
| PubChem | 73816072 |
| LOTUS | LTS0216086 |
| wikiData | Q105303173 |