| Compound Information | SONAR Target prediction |
| Name: | beta-SITOSTEROL |
| Unique Identifier: | SPE00107022 |
| MolClass: | Checkout models in ver1.5 and ver1.0 |
| Molecular Formula: | |
| Molecular Weight: | 364.31 g/mol |
| X log p: | 3.299 (online calculus) |
| Lipinksi Failures | 0 |
| TPSA | 0 |
| Hydrogen Bond Donor Count: | 0 |
| Hydrogen Bond Acceptors Count: | 1 |
| Rotatable Bond Count: | 6 |
| Canonical Smiles: | CCC(CCC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C)C(C)C |
| Class: | sterol |
| Source: | widespread in plants |
| Reference: | J Am Chem Soc 48: 2987 (1926) |
| Generic_name: | CHOLESTEROL |
| Chemical_iupac_name: | CHOLESTEROL |
| Drug_type: | Experimental |
| Kegg_compound_id: | C00187 |
| Drugbank_id: | EXPT00945 |
| Logp: | 7.445 |
| Cas_registry_number: | 57-88-5 |
| Drug_category: | Nuclear Receptor Ror-Alpha inhibitor |
| Organisms_affected: | -1 |
| Found: 205 nonactive as graph: single | with analogs | 1 2 3 4 5 6 7 8 9 10 Next >> [205] |
| Species: | 4932 |
| Condition: | APC9 |
| Replicates: | 2 |
| Raw OD Value: r im | 0.7002±0.00247487 |
| Normalized OD Score: sc h | 0.9758±0.000883413 |
| Z-Score: | -1.3134±0.02819 |
| p-Value: | 0.18914 |
| Z-Factor: | -2291.1 |
| Fitness Defect: | 1.6653 |
| Bioactivity Statement: | Nonactive |
| ps |
| DBLink | Rows returned: 355 | [1] << Back 51 52 53 54 55 56 57 58 59 60 |
| 16064713 | (8S,9S,10R,13R,14S,17R)-17-[(2R)-5-hydroxy-6-methyl-heptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15, 16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol |
| internal high similarity DBLink | Rows returned: 8 | 1 2 Next >> |
| SB 01792 | 0.9189 |
| SPE00201697 | 0.9189 |
| SPE00240449 | 0.9189 |
| SPE00240470 | 0.9189 |
| SPE01500843 | 0.9189 |
| SPE00307057 | 0.9231 |
| active | Cluster 17506 | Additional Members: 20 | Rows returned: 4 |
| SPE00270090 | 0.529411764705882 |
| SPE00270083 | 0.402597402597403 |
| SPE01500849 | 0.354430379746835 |
| SPE00270043 | 0.315068493150685 |
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