(4S)-4-[(5R,9R,10R,13S,14S,17S)-4,4,10,13,14-pentamethyl-3-oxo-5,6,9,11,12,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl]oxolan-2-one
| Internal ID | 6cdf32b8-0ea7-48dd-a342-65af56780166 |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Steroid lactones |
| IUPAC Name | (4S)-4-[(5R,9R,10R,13S,14S,17S)-4,4,10,13,14-pentamethyl-3-oxo-5,6,9,11,12,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl]oxolan-2-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C26H36O3/c1-23(2)20-7-6-19-18(24(20,3)11-10-21(23)27)9-13-25(4)17(8-12-26(19,25)5)16-14-22(28)29-15-16/h6,10-11,16-18,20H,7-9,12-15H2,1-5H3/t16-,17+,18+,20+,24-,25+,26-/m1/s1 |
| InChI Key | WUBUECYUBZMXMP-APSMHXCZSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C26H36O3 |
| Molecular Weight | 396.60 g/mol |
| Exact Mass | 396.26644501 g/mol |
| Topological Polar Surface Area (TPSA) | 43.40 Ų |
| XlogP | 5.60 |
| There are no found synonyms. |
![2D Structure of (4S)-4-[(5R,9R,10R,13S,14S,17S)-4,4,10,13,14-pentamethyl-3-oxo-5,6,9,11,12,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl]oxolan-2-one](https://plantaedb.com/storage/docs/compounds/2023/11/b39754b0-8590-11ee-bf7e-670a2700a6b6.jpg "2D Structure of (4S)-4-[(5R,9R,10R,13S,14S,17S)-4,4,10,13,14-pentamethyl-3-oxo-5,6,9,11,12,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl]oxolan-2-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 |
|---|---|---|---|---|
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 92.82% | 100.00% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 92.75% | 97.25% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.93% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.08% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.49% | 97.09% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 87.34% | 96.77% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.51% | 95.89% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 83.32% | 82.69% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 83.14% | 96.09% |
| CHEMBL1871 | P10275 | Androgen Receptor | 82.57% | 96.43% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.19% | 97.14% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 80.05% | 93.99% |
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.
| Aphanamixis polystachya |
| PubChem | 162898059 |
| LOTUS | LTS0079989 |
| wikiData | Q105312951 |