5alpha,8alpha-epidioxy-24E-ethylidene-cholest-6-en-3beta-ol
| Internal ID | 841aebf6-8408-49cf-bdfc-b16dfecd8dfb |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Stigmastanes and derivatives |
| IUPAC Name | (1S,2R,5R,6R,9R,10R,13S,15S)-6,10-dimethyl-5-[(E,2R)-5-propan-2-ylhept-5-en-2-yl]-16,17-dioxapentacyclo[13.2.2.01,9.02,6.010,15]nonadec-18-en-13-ol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C29H46O3/c1-7-21(19(2)3)9-8-20(4)23-10-11-24-26(23,5)14-13-25-27(6)15-12-22(30)18-28(27)16-17-29(24,25)32-31-28/h7,16-17,19-20,22-25,30H,8-15,18H2,1-6H3/b21-7+/t20-,22+,23-,24-,25-,26-,27-,28-,29+/m1/s1 |
| InChI Key | BGMWRNYOBDTZKI-AGXXPEKKSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C29H46O3 |
| Molecular Weight | 442.70 g/mol |
| Exact Mass | 442.34469533 g/mol |
| Topological Polar Surface Area (TPSA) | 38.70 Ų |
| XlogP | 7.50 |
| (24E)-5alpha,8alpha-epidioxy-24-ethyl-cholesta-6,24(28)-dien-3beta-ol |
| LMST01040194 |
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.58% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 96.73% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.11% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.94% | 97.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.56% | 98.95% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 89.43% | 90.17% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.99% | 94.45% |
| CHEMBL4835 | P00338 | L-lactate dehydrogenase A chain | 88.67% | 95.34% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.34% | 95.89% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 86.28% | 82.69% |
| CHEMBL325 | Q13547 | Histone deacetylase 1 | 85.79% | 95.92% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 85.52% | 89.05% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.24% | 100.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 85.08% | 92.62% |
| CHEMBL2094135 | Q96BI3 | Gamma-secretase | 84.85% | 98.05% |
| CHEMBL3837 | P07711 | Cathepsin L | 84.22% | 96.61% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 83.00% | 95.89% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 82.68% | 95.93% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.67% | 89.00% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 82.26% | 93.99% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.01% | 95.56% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 80.66% | 90.08% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 80.36% | 93.56% |
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 | 25208783 |
| LOTUS | LTS0178255 |
| wikiData | Q76513312 |