6-(6-Methoxy-7,7,12,16-tetramethyl-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl)-2,3-dimethylheptan-2-ol
| Internal ID | 7f932bff-8fe3-4c82-8d6d-6a9f3839abc1 |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Cycloartanols and derivatives |
| IUPAC Name | 6-(6-methoxy-7,7,12,16-tetramethyl-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl)-2,3-dimethylheptan-2-ol |
| SMILES (Canonical) | CC(CCC(C)C(C)(C)O)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)OC)C)C |
| SMILES (Isomeric) | CC(CCC(C)C(C)(C)O)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)OC)C)C |
| InChI | InChI=1S/C32H56O2/c1-21(10-11-22(2)28(5,6)33)23-14-16-30(8)25-13-12-24-27(3,4)26(34-9)15-17-31(24)20-32(25,31)19-18-29(23,30)7/h21-26,33H,10-20H2,1-9H3 |
| InChI Key | YPJRQXJFROEIKW-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C32H56O2 |
| Molecular Weight | 472.80 g/mol |
| Exact Mass | 472.42803102 g/mol |
| Topological Polar Surface Area (TPSA) | 29.50 Ų |
| XlogP | 9.40 |
| There are no found synonyms. |
![2D Structure of 6-(6-Methoxy-7,7,12,16-tetramethyl-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl)-2,3-dimethylheptan-2-ol](https://plantaedb.com/storage/docs/compounds/2023/11/a1e17c60-8561-11ee-a7ca-59736e98ce22.jpg "2D Structure of 6-(6-Methoxy-7,7,12,16-tetramethyl-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl)-2,3-dimethylheptan-2-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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 99.53% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.80% | 91.11% |
| CHEMBL240 | Q12809 | HERG | 94.98% | 89.76% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.91% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.58% | 94.45% |
| CHEMBL233 | P35372 | Mu opioid receptor | 90.99% | 97.93% |
| CHEMBL5888 | Q99558 | Mitogen-activated protein kinase kinase kinase 14 | 90.19% | 100.00% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 89.21% | 94.78% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 89.00% | 97.79% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 88.76% | 92.88% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.03% | 98.95% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 87.81% | 97.14% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 85.59% | 91.03% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.10% | 97.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.90% | 95.89% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 83.90% | 93.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.78% | 92.62% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 83.54% | 100.00% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 83.42% | 100.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 82.91% | 93.56% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 82.74% | 98.75% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 82.06% | 97.29% |
| CHEMBL3837 | P07711 | Cathepsin L | 81.77% | 96.61% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 80.53% | 94.75% |
| CHEMBL4005 | P42336 | PI3-kinase p110-alpha subunit | 80.30% | 97.47% |
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.
| Amentotaxus formosana |
| PubChem | 162987896 |
| LOTUS | LTS0213982 |
| wikiData | Q105351709 |