Compound Information | SONAR Target prediction | Name: | SITOSTEROL, beta - | Unique Identifier: | BIOMOL 418 | MolClass: | Checkout models in ver1.5 and ver1.0 | Molecular Formula: | C29H50O | Molecular Weight: | 367.334 g/mol | X log p: | 3.53 (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 | 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 |
Species: |
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Condition: |
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Replicates: |
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Raw OD Value: r im |
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Normalized OD Score: sc h |
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Z-Score: |
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p-Value: |
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Z-Factor: |
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Fitness Defect: |
INF |
Bioactivity Statement: |
Toxic |
Experimental Conditions | | Library: | | Plate Number and Position: | | | Drug Concentration: | nM | OD Absorbance: | nm | Robot Temperature: | Celcius | Date: | YYYY-MM-DD | Plate CH Control (+): | ± | Plate DMSO Control (-): | ± | Plate Z-Factor: | |
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6450183 |
(3S,8S,10R,13R,14S,17R)-17-[(E)-5-ethyl-6-methyl-hept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15, 16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol |
6453370 |
(3S,8R,9S,10R,12S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,1 7-dodecahydro-1H-cyclopenta[a]phenanthrene-3,12-diol |
6453777 |
(3S,10S,13R,14S,17R)-14-(hydroxymethyl)-4,4,10,13-tetramethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,5,6,7,11 ,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol |
6454969 |
(3S,5S,9R,10R,13R,15S,17R)-10,13,14-trimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,5,6,9,11,12,15,16,17 -dodecahydrocyclopenta[a]phenanthrene-3,15-diol |
6482590 |
(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-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; (3S,8S,9S,10R,13R,14S,17R)-17-[(E,2S,5S)-5-ethyl-6-methyl-hept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11, 12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol |
6540511 |
(3S,8S,10R,13R,17R)-17-[(E,5S)-5-ethyl-6-methyl-hept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,1 6,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol |
internal high similarity DBLink | Rows returned: 0 | |
active | Cluster 17506 | Additional Members: 20 | Rows returned: 4 | |
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