CID 139586431
| Internal ID | 9875979f-9e83-468d-83ff-4cc7b6f858a8 |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Steroid lactones > Withanolides and derivatives |
| IUPAC Name | 17-hydroxy-2,3',4',8,10,14,18,18-octamethylspiro[5-oxapentacyclo[11.8.0.02,10.04,9.014,19]henicosa-1(21),12-diene-6,5'-furan]-2'-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C31H44O4/c1-17-15-31(19(3)18(2)26(33)35-31)34-22-16-30(8)21-9-10-23-27(4,5)24(32)12-13-28(23,6)20(21)11-14-29(30,7)25(17)22/h9,11,17,22-25,32H,10,12-16H2,1-8H3 |
| InChI Key | BWCYDEWKXYQBIN-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C31H44O4 |
| Molecular Weight | 480.70 g/mol |
| Exact Mass | 480.32395988 g/mol |
| Topological Polar Surface Area (TPSA) | 55.80 Ų |
| XlogP | 5.70 |
| 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 |
|---|---|---|---|---|
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.66% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.67% | 97.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.49% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.40% | 96.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.68% | 100.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 86.83% | 91.11% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 86.31% | 96.61% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.26% | 99.23% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 84.43% | 92.94% |
| CHEMBL1871 | P10275 | Androgen Receptor | 83.69% | 96.43% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.31% | 86.33% |
| CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 81.89% | 86.00% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 81.18% | 94.75% |
| CHEMBL204 | P00734 | Thrombin | 81.18% | 96.01% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.41% | 97.14% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 80.21% | 93.56% |
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 | 139586431 |
| LOTUS | LTS0081986 |
| wikiData | Q77506417 |