5,14-Dimethyl-5-(4-methyl-3-methylidenepentyl)-2,4-dioxahexacyclo[11.8.0.01,9.03,10.06,10.014,19]henicosane-8,17,21-triol
| Internal ID | 3e979d8f-2f6b-400d-98dc-4173cf45d8fc |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Ergostane steroids |
| IUPAC Name | 5,14-dimethyl-5-(4-methyl-3-methylidenepentyl)-2,4-dioxahexacyclo[11.8.0.01,9.03,10.06,10.014,19]henicosane-8,17,21-triol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C28H44O5/c1-15(2)16(3)6-10-26(5)21-14-19(30)23-27(21)11-8-20-25(4)9-7-18(29)12-17(25)13-22(31)28(20,23)33-24(27)32-26/h15,17-24,29-31H,3,6-14H2,1-2,4-5H3 |
| InChI Key | ULMXQCHYFQWPAN-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C28H44O5 |
| Molecular Weight | 460.60 g/mol |
| Exact Mass | 460.31887450 g/mol |
| Topological Polar Surface Area (TPSA) | 79.20 Ų |
| XlogP | 4.20 |
| There are no found synonyms. |
![2D Structure of 5,14-Dimethyl-5-(4-methyl-3-methylidenepentyl)-2,4-dioxahexacyclo[11.8.0.01,9.03,10.06,10.014,19]henicosane-8,17,21-triol](https://plantaedb.com/storage/docs/compounds/2023/11/2038dcc0-8637-11ee-a302-6b844451cc41.jpg "2D Structure of 5,14-Dimethyl-5-(4-methyl-3-methylidenepentyl)-2,4-dioxahexacyclo[11.8.0.01,9.03,10.06,10.014,19]henicosane-8,17,21-triol")
| 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 | 97.44% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.82% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.88% | 96.09% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 94.54% | 96.61% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 93.91% | 83.82% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 93.85% | 90.17% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.58% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.02% | 97.09% |
| CHEMBL3837 | P07711 | Cathepsin L | 91.43% | 96.61% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 89.83% | 82.69% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 88.16% | 94.75% |
| CHEMBL2815 | P04629 | Nerve growth factor receptor Trk-A | 88.15% | 87.16% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 87.63% | 92.62% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.98% | 95.89% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 86.71% | 95.17% |
| CHEMBL344 | Q99705 | Melanin-concentrating hormone receptor 1 | 85.86% | 92.50% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.78% | 100.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 85.47% | 95.89% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 84.97% | 89.05% |
| CHEMBL2007625 | O75874 | Isocitrate dehydrogenase [NADP] cytoplasmic | 84.50% | 99.00% |
| CHEMBL2534 | O15530 | 3-phosphoinositide dependent protein kinase-1 | 83.95% | 95.36% |
| CHEMBL2581 | P07339 | Cathepsin D | 83.10% | 98.95% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 82.63% | 93.10% |
| CHEMBL4394 | Q9NYA1 | Sphingosine kinase 1 | 81.88% | 96.03% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 81.73% | 95.93% |
| CHEMBL2094135 | Q96BI3 | Gamma-secretase | 81.36% | 98.05% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 81.34% | 96.47% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.07% | 89.00% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 81.01% | 96.38% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 80.90% | 90.08% |
| CHEMBL3975 | P09467 | Fructose-1,6-bisphosphatase | 80.73% | 92.95% |
| CHEMBL1871 | P10275 | Androgen Receptor | 80.60% | 96.43% |
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.
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| There are no matching plants. |
| PubChem | 162931615 |
| LOTUS | LTS0065123 |
| wikiData | Q104198345 |