28-Acetoxy-12beta,15alpha,25-trihydroxyergosta-4,6,8(14),22-tetraen-3-one
| Internal ID | bf5229cc-988f-418f-a68d-77e93c7c958d |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Ergostane steroids > Ergosterols and derivatives |
| IUPAC Name | [(2R,5R)-5-[(9R,10R,12R,13R,15S,17R)-12,15-dihydroxy-10,13-dimethyl-3-oxo-1,2,9,11,12,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl]-2-(2-hydroxypropan-2-yl)hex-3-enyl] acetate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C30H42O6/c1-17(7-8-20(28(3,4)35)16-36-18(2)31)23-14-25(33)27-22-10-9-19-13-21(32)11-12-29(19,5)24(22)15-26(34)30(23,27)6/h7-10,13,17,20,23-26,33-35H,11-12,14-16H2,1-6H3/t17-,20-,23-,24+,25+,26-,29+,30+/m1/s1 |
| InChI Key | ZQWAPIPOQSYCJS-LVMYIMMYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C30H42O6 |
| Molecular Weight | 498.60 g/mol |
| Exact Mass | 498.29813906 g/mol |
| Topological Polar Surface Area (TPSA) | 104.00 Ų |
| XlogP | 2.10 |
| There are no found synonyms. |
| 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 |
|---|---|---|---|---|
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 99.26% | 85.14% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.52% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.84% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.67% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.97% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 94.83% | 91.49% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.88% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.89% | 98.95% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 89.98% | 100.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.72% | 86.33% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.02% | 97.09% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 87.39% | 96.90% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 86.82% | 91.19% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 85.99% | 91.07% |
| CHEMBL5028 | O14672 | ADAM10 | 84.71% | 97.50% |
| CHEMBL284 | P27487 | Dipeptidyl peptidase IV | 84.49% | 95.69% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 83.37% | 95.71% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 83.36% | 94.33% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 82.58% | 94.75% |
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 | 139590596 |
| LOTUS | LTS0078532 |
| wikiData | Q105381791 |