CID 78387577
| Internal ID | 936d577c-f8e2-4564-8d1f-c0d10bba3fae |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Hydroxysteroids > 17-hydroxysteroids |
| IUPAC Name | |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C54H76N2O11/c1-26-51(14-13-45(3,61)25-64-51)65-43-19-34-30-11-9-28-15-36-38(21-47(28,5)32(30)17-40(58)49(34,7)52(26,43)62)55-37-16-29-10-12-31-33(48(29,6)22-39(37)56-36)18-41(59)50(8)35(31)20-44-53(50,63)27(2)54(66-44)42(60)23-46(4,24-57)67-54/h19-20,26-33,40-44,57-63H,9-18,21-25H2,1-8H3 |
| InChI Key | PVWRLYLGSHCILI-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C54H76N2O11 |
| Molecular Weight | 929.20 g/mol |
| Exact Mass | 928.54491124 g/mol |
| Topological Polar Surface Area (TPSA) | 204.00 Ų |
| XlogP | 3.00 |
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.40% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.42% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.98% | 97.09% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 90.09% | 89.05% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 90.05% | 100.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.27% | 86.33% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 87.72% | 95.38% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 87.10% | 96.95% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 85.81% | 96.39% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 85.62% | 95.93% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 84.20% | 100.00% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 83.83% | 95.50% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.37% | 92.62% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 82.70% | 86.92% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 81.91% | 85.14% |
| CHEMBL2140 | P48775 | Tryptophan 2,3-dioxygenase | 81.67% | 98.46% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.02% | 99.23% |
| CHEMBL5888 | Q99558 | Mitogen-activated protein kinase kinase kinase 14 | 80.94% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.61% | 95.89% |
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 | 78387577 |
| LOTUS | LTS0129266 |
| wikiData | Q105215655 |