7,7,12,16-Tetramethyl-15-(6-methyl-5-methylideneheptan-2-yl)pentacyclo[9.7.0.01,3.03,8.012,16]octadecane-6,14-diol
| Internal ID | b6e58b3b-1a99-4a80-b1fa-928a75610551 |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Cycloartanols and derivatives |
| IUPAC Name | 7,7,12,16-tetramethyl-15-(6-methyl-5-methylideneheptan-2-yl)pentacyclo[9.7.0.01,3.03,8.012,16]octadecane-6,14-diol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C31H52O2/c1-19(2)20(3)9-10-21(4)26-22(32)17-29(8)24-12-11-23-27(5,6)25(33)13-14-30(23)18-31(24,30)16-15-28(26,29)7/h19,21-26,32-33H,3,9-18H2,1-2,4-8H3 |
| InChI Key | UGZJUGATSRFPCD-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C31H52O2 |
| Molecular Weight | 456.70 g/mol |
| Exact Mass | 456.396730897 g/mol |
| Topological Polar Surface Area (TPSA) | 40.50 Ų |
| XlogP | 9.00 |
| There are no found synonyms. |
![2D Structure of 7,7,12,16-Tetramethyl-15-(6-methyl-5-methylideneheptan-2-yl)pentacyclo[9.7.0.01,3.03,8.012,16]octadecane-6,14-diol](https://plantaedb.com/storage/docs/compounds/2023/11/10348590-86a8-11ee-91a3-bd726cbd0dec.jpg "2D Structure of 7,7,12,16-Tetramethyl-15-(6-methyl-5-methylideneheptan-2-yl)pentacyclo[9.7.0.01,3.03,8.012,16]octadecane-6,14-diol")
| 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 | 98.96% | 97.25% |
| CHEMBL240 | Q12809 | HERG | 96.25% | 89.76% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.03% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.97% | 96.09% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 94.99% | 96.61% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.58% | 97.09% |
| CHEMBL3837 | P07711 | Cathepsin L | 94.11% | 96.61% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 92.18% | 95.58% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.00% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.52% | 98.95% |
| CHEMBL4482 | O96013 | Serine/threonine-protein kinase PAK 4 | 89.16% | 95.42% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 87.02% | 82.69% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.89% | 100.00% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 85.77% | 98.10% |
| CHEMBL325 | Q13547 | Histone deacetylase 1 | 85.62% | 95.92% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 85.17% | 94.75% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 84.60% | 92.62% |
| CHEMBL206 | P03372 | Estrogen receptor alpha | 84.03% | 97.64% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 83.97% | 92.88% |
| CHEMBL4394 | Q9NYA1 | Sphingosine kinase 1 | 83.79% | 96.03% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.65% | 95.89% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 83.45% | 96.77% |
| CHEMBL2094135 | Q96BI3 | Gamma-secretase | 83.17% | 98.05% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 82.76% | 95.50% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 82.61% | 90.17% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 82.13% | 90.24% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 81.10% | 91.03% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 81.04% | 96.95% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 81.02% | 94.78% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 81.02% | 95.17% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.78% | 100.00% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 80.36% | 98.75% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 80.33% | 99.18% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 80.18% | 93.00% |
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.
| Swietenia mahagoni |
| PubChem | 162871496 |
| LOTUS | LTS0145774 |
| wikiData | Q105272667 |