CID 73092854
| Internal ID | ffe29588-ca07-4add-8ace-85e6110c123a |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Oxosteroids |
| IUPAC Name | |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C55H74N2O12/c1-25-31-17-43-55(67-43)50(31,24-65-53(25)44(62)26(2)45(4,5)68-53)40(60)19-38-48(8)21-37-35(15-29(48)12-13-51(38,55)63)56-36-20-47(7)28(14-34(36)57-37)10-11-30-32(47)16-39(59)49(9)33(30)18-42-52(49,64)27(3)54(66-42)41(61)22-46(6,23-58)69-54/h18-19,25-32,39,41-44,58-59,61-64H,10-17,20-24H2,1-9H3 |
| InChI Key | QJKIJCMBSFDTKP-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C55H74N2O12 |
| Molecular Weight | 955.20 g/mol |
| Exact Mass | 954.52417580 g/mol |
| Topological Polar Surface Area (TPSA) | 214.00 Ų |
| XlogP | 1.80 |
| 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 |
|---|---|---|---|---|
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 98.83% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.20% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.54% | 91.11% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 94.50% | 89.05% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.31% | 97.09% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 93.36% | 99.23% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 92.67% | 100.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.31% | 86.33% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 90.44% | 89.34% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 89.94% | 94.80% |
| CHEMBL220 | P22303 | Acetylcholinesterase | 89.69% | 94.45% |
| CHEMBL204 | P00734 | Thrombin | 88.85% | 96.01% |
| CHEMBL1871 | P10275 | Androgen Receptor | 88.40% | 96.43% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 87.80% | 95.38% |
| CHEMBL2140 | P48775 | Tryptophan 2,3-dioxygenase | 87.15% | 98.46% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.27% | 98.95% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 85.27% | 96.39% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 84.64% | 82.69% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.93% | 95.56% |
| CHEMBL4073 | P09237 | Matrix metalloproteinase 7 | 83.70% | 97.56% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 83.49% | 86.92% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.44% | 91.19% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.42% | 89.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.38% | 94.45% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 82.90% | 92.94% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 82.50% | 100.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.12% | 94.00% |
| CHEMBL1914 | P06276 | Butyrylcholinesterase | 81.04% | 95.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.42% | 92.62% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.30% | 95.89% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 80.19% | 97.33% |
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 | 73092854 |
| LOTUS | LTS0080738 |
| wikiData | Q105222723 |