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: |
CLB2 |
Replicates: |
2 |
Raw OD Value: r im |
0.6752±0.0105359 |
Normalized OD Score: sc h |
0.9696±0.0078247 |
Z-Score: |
-1.7461±0.411785 |
p-Value: |
0.0936498 |
Z-Factor: |
-1262.08 |
Fitness Defect: |
2.3682 |
Bioactivity Statement: |
Nonactive |
Experimental Conditions | | Library: | Spectrum | Plate Number and Position: | 2|G6 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 24.70 Celcius | Date: | 2007-11-02 YYYY-MM-DD | Plate CH Control (+): | 0.041175±0.00342 | Plate DMSO Control (-): | 0.682725±0.11885 | Plate Z-Factor: | 0.4237 |
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119074 |
(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-5-propan-2-ylhept-5-en-2-yl]-2,3,4,7,8,9,11,12,14,15, 16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol |
121935 |
(3S,8S,9S,10R,13R,14S,17S)-17-[(2S)-2-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 |
121948 |
(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5S)-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 |
122544 |
17-(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-cyclope nta[a]phenanthren-3-ol |
123976 |
(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,6R)-7-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 |
124184 |
(3S,8S,9S,10R,13R,17R)-17-[(2S,3R)-3-hydroxy-6-methyl-hept-5-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,1 4,15,16,17-dodecahydro-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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