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 |
Species: |
4932 |
Condition: |
VPH1 |
Replicates: |
2 |
Raw OD Value: r im |
0.5323±0.0302642 |
Normalized OD Score: sc h |
1.0287±0.0011819 |
Z-Score: |
0.5143±0.05609 |
p-Value: |
0.607344 |
Z-Factor: |
-3.59328 |
Fitness Defect: |
0.4987 |
Bioactivity Statement: |
Nonactive |
Experimental Conditions | | Library: | SPECMTS3 | Plate Number and Position: | 15|D2 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 24.80 Celcius | Date: | 2008-03-01 YYYY-MM-DD | Plate CH Control (+): | 0.040575±0.00167 | Plate DMSO Control (-): | 0.498325±0.02216 | Plate Z-Factor: | 0.8217 |
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191501 |
(3S,8S,9S,10R,13R,14S,17R)-17-(2,6-dimethylheptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dod ecahydro-1H-cyclopenta[a]phenanthren-3-ol |
191713 |
(3S,5S,9R,10R,13R,17R)-14-(hydroxymethyl)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,5,6,9,11, 12,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol |
191958 |
(3S,8S,9S,10R,13R,14S,17R)-17-[(2S)-3-hydroxy-6,6-dimethyl-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 |
191970 |
(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5S)-5-ethyl-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 |
193567 |
(3S,8S,9S,10R,13R,14S,17R)-17-[(2R)-5,6-dimethylhept-5-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 |
193773 |
(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-5-methylhexan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dod ecahydro-1H-cyclopenta[a]phenanthren-3-ol |
internal high similarity DBLink | Rows returned: 8 | 1 2 Next >> |
active | Cluster 17506 | Additional Members: 20 | Rows returned: 4 | |
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