7,7,12,16-Tetramethyl-15-(6-methylhept-4-en-2-yl)pentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol
| Internal ID | 2dd35722-85b3-49d1-acad-c15e69142a24 |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Cycloartanols and derivatives |
| IUPAC Name | 7,7,12,16-tetramethyl-15-(6-methylhept-4-en-2-yl)pentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol |
| SMILES (Canonical) | CC(C)C=CCC(C)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)O)C)C |
| SMILES (Isomeric) | CC(C)C=CCC(C)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)O)C)C |
| InChI | InChI=1S/C30H50O/c1-20(2)9-8-10-21(3)22-13-15-28(7)24-12-11-23-26(4,5)25(31)14-16-29(23)19-30(24,29)18-17-27(22,28)6/h8-9,20-25,31H,10-19H2,1-7H3 |
| InChI Key | WSDKMPKERYYHJA-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H50O |
| Molecular Weight | 426.70 g/mol |
| Exact Mass | 426.386166214 g/mol |
| Topological Polar Surface Area (TPSA) | 20.20 Ų |
| XlogP | 9.40 |
| There are no found synonyms. |
![2D Structure of 7,7,12,16-Tetramethyl-15-(6-methylhept-4-en-2-yl)pentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol](https://plantaedb.com/storage/docs/compounds/2023/11/771216-tetramethyl-15-6-methylhept-4-en-2-ylpentacyclo97001303801216octadecan-6-ol.jpg "2D Structure of 7,7,12,16-Tetramethyl-15-(6-methylhept-4-en-2-yl)pentacyclo[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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.45% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.90% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 94.76% | 97.25% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 91.21% | 96.61% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 91.03% | 95.58% |
| CHEMBL3837 | P07711 | Cathepsin L | 89.78% | 96.61% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.96% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.03% | 97.09% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 87.24% | 93.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.36% | 95.89% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 85.46% | 96.95% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 84.82% | 94.75% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 84.37% | 95.93% |
| CHEMBL4005 | P42336 | PI3-kinase p110-alpha subunit | 83.02% | 97.47% |
| CHEMBL2581 | P07339 | Cathepsin D | 82.86% | 98.95% |
| CHEMBL4506 | Q96EB6 | NAD-dependent deacetylase sirtuin 1 | 82.37% | 88.33% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 82.20% | 82.69% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 81.56% | 85.31% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.52% | 100.00% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 81.32% | 100.00% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 81.13% | 90.24% |
| CHEMBL206 | P03372 | Estrogen receptor alpha | 80.50% | 97.64% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 80.23% | 98.75% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 80.05% | 92.86% |
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.
| Nicotiana tabacum |
| PubChem | 73718930 |
| LOTUS | LTS0084391 |
| wikiData | Q105311793 |