16-Pregnenolone
| Internal ID | 596372e1-ca1d-4155-b374-7b14e4916dbe |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Oxosteroids > 20-oxosteroids |
| IUPAC Name | 1-(3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethanone |
| SMILES (Canonical) | CC(=O)C1=CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C |
| SMILES (Isomeric) | CC(=O)C1=CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C |
| InChI | InChI=1S/C21H32O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h6,14-16,18-19,23H,4-5,7-12H2,1-3H3 |
| InChI Key | SFXPZLCQRZASKK-UHFFFAOYSA-N |
| Popularity | 7 references in papers |
| Molecular Formula | C21H32O2 |
| Molecular Weight | 316.50 g/mol |
| Exact Mass | 316.240230259 g/mol |
| Topological Polar Surface Area (TPSA) | 37.30 Ų |
| XlogP | 4.70 |
| 16-Pregnolone |
| Allopregnenolone |
| 3-Hydroxypregn-16-en-20-one |
| 3-Hydroxypregn-16-en-20-one # |
| (3beta,5alpha)-3-hydroxypregn-16-en-20-one |
| 16-Allopregnene-3-ol-20-one |
| SFXPZLCQRZASKK-UHFFFAOYSA-N |
| 3-Hydroxy-(3beta,5alpha)-Pregn-16-en-20-one |
| 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 | 96.07% | 96.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 92.32% | 100.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.06% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.00% | 94.45% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 87.33% | 91.19% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 87.17% | 97.25% |
| CHEMBL1871 | P10275 | Androgen Receptor | 86.82% | 96.43% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 85.91% | 82.69% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 83.82% | 93.03% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.77% | 97.09% |
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.
| Cosmos pringlei |
| Solanum lycopersicum |
| PubChem | 537186 |
| LOTUS | LTS0274377 |
| wikiData | Q105252130 |