(22E)-5alpha-Ergosta-7,22-diene-3beta,5,6alpha-triol 6-palmitate
| Internal ID | 27f2d522-e214-4d19-bdb8-a2da7dd7f26c |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Ergostane steroids > Ergosterols and derivatives |
| IUPAC Name | [(3S,5R,6S,9S,10R,13R,14R,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-3,5-dihydroxy-10,13-dimethyl-1,2,3,4,6,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-6-yl] hexadecanoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C44H76O4/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-41(46)48-40-30-36-38-25-24-37(34(5)23-22-33(4)32(2)3)42(38,6)28-27-39(36)43(7)29-26-35(45)31-44(40,43)47/h22-23,30,32-35,37-40,45,47H,8-21,24-29,31H2,1-7H3/b23-22+/t33-,34+,35-,37+,38-,39-,40-,42+,43+,44-/m0/s1 |
| InChI Key | ONJYKWSANGGHSP-DMYFEHIWSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C44H76O4 |
| Molecular Weight | 669.10 g/mol |
| Exact Mass | 668.57436090 g/mol |
| Topological Polar Surface Area (TPSA) | 66.80 Ų |
| XlogP | 13.50 |
| (22E)-5alpha-Ergosta-7,22-diene-3beta,5,6alpha-triol 6-palmitate |
| BDBM50497667 |
| 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 | 99.08% | 96.09% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 98.50% | 82.69% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.87% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.49% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.18% | 97.25% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 96.76% | 90.17% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 95.95% | 92.86% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 95.48% | 99.17% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.73% | 94.45% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 93.64% | 100.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 93.48% | 93.56% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 92.21% | 98.03% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 91.26% | 95.89% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 91.10% | 85.94% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 90.40% | 97.29% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.92% | 97.09% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 89.92% | 92.50% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.55% | 95.56% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 88.56% | 100.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.01% | 86.33% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 85.17% | 95.89% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 84.70% | 96.38% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 83.77% | 95.17% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 82.75% | 97.14% |
| CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 82.16% | 94.23% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 81.98% | 85.31% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 81.97% | 97.50% |
| CHEMBL2959 | Q08881 | Tyrosine-protein kinase ITK/TSK | 81.64% | 95.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.12% | 100.00% |
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.
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| There are no matching plants. |
| PubChem | 16744666 |
| LOTUS | LTS0084835 |
| wikiData | Q77498695 |