Certonardosterol Q3
| Internal ID | 4722d8a0-f0a4-4836-ab0e-2f8a7d999d20 |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Bile acids, alcohols and derivatives > Hydroxy bile acids, alcohols and derivatives > Trihydroxy bile acids, alcohols and derivatives |
| IUPAC Name | (3S,5S,6S,8S,9R,10S,13R,14R,17R)-3,6,8-trihydroxy-17-[(2R,5S)-5-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,9,11,12,14,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-15-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C27H46O5/c1-15(2)20(29)7-6-16(3)18-13-21(30)24-26(18,5)11-9-23-25(4)10-8-17(28)12-19(25)22(31)14-27(23,24)32/h15-20,22-24,28-29,31-32H,6-14H2,1-5H3/t16-,17+,18-,19-,20+,22+,23-,24-,25+,26-,27+/m1/s1 |
| InChI Key | HRUJIYHHMYANHN-RLSMRNFZSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C27H46O5 |
| Molecular Weight | 450.70 g/mol |
| Exact Mass | 450.33452456 g/mol |
| Topological Polar Surface Area (TPSA) | 98.00 Ų |
| XlogP | 3.60 |
| CHEMBL456308 |
| 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 | 96.62% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.74% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.43% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.29% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.65% | 97.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.25% | 91.11% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 89.96% | 95.58% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 89.69% | 82.69% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 87.61% | 96.47% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.14% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.46% | 95.89% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.50% | 89.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 83.23% | 95.89% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 83.12% | 95.93% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.09% | 95.56% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 82.38% | 93.56% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 81.91% | 85.31% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 81.80% | 98.10% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 81.46% | 98.03% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.03% | 90.71% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.63% | 100.00% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 80.58% | 97.05% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.02% | 97.14% |
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.
| There are no matching plants. |
| PubChem | 21589762 |
| LOTUS | LTS0233182 |
| wikiData | Q105032846 |