15-(5-Ethyl-6-methylheptan-2-yl)-7,12,16-trimethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol
| Internal ID | 2aafc380-c3e5-4059-96dc-03057ceb60f7 |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Cycloartanols and derivatives |
| IUPAC Name | 15-(5-ethyl-6-methylheptan-2-yl)-7,12,16-trimethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol |
| SMILES (Canonical) | CCC(CCC(C)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5C)O)C)C)C(C)C |
| SMILES (Isomeric) | CCC(CCC(C)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5C)O)C)C)C(C)C |
| InChI | InChI=1S/C31H54O/c1-8-23(20(2)3)10-9-21(4)24-13-15-29(7)27-12-11-25-22(5)26(32)14-16-30(25)19-31(27,30)18-17-28(24,29)6/h20-27,32H,8-19H2,1-7H3 |
| InChI Key | LBTUQKGUXXABKQ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C31H54O |
| Molecular Weight | 442.80 g/mol |
| Exact Mass | 442.417466342 g/mol |
| Topological Polar Surface Area (TPSA) | 20.20 Ų |
| XlogP | 10.60 |
| There are no found synonyms. |
![2D Structure of 15-(5-Ethyl-6-methylheptan-2-yl)-7,12,16-trimethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol](https://plantaedb.com/storage/docs/compounds/2023/11/15-5-ethyl-6-methylheptan-2-yl-71216-trimethylpentacyclo97001303801216octadecan-6-ol.jpg "2D Structure of 15-(5-Ethyl-6-methylheptan-2-yl)-7,12,16-trimethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol")
| 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 |
|---|---|---|---|---|
| CHEMBL240 | Q12809 | HERG | 97.71% | 89.76% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.68% | 97.25% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 93.01% | 90.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.92% | 96.09% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 91.72% | 90.24% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.40% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.68% | 98.95% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 88.49% | 96.61% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 86.72% | 94.75% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 86.19% | 97.79% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.82% | 97.09% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 85.42% | 100.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.89% | 90.71% |
| CHEMBL3837 | P07711 | Cathepsin L | 83.64% | 96.61% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.84% | 100.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 82.78% | 93.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.36% | 94.45% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 82.29% | 82.69% |
| CHEMBL233 | P35372 | Mu opioid receptor | 81.71% | 97.93% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 80.79% | 92.86% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 80.74% | 97.50% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 80.41% | 95.58% |
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 | 73834510 |
| LOTUS | LTS0080141 |
| wikiData | Q104253674 |