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: |
BRE1 |
Replicates: |
2 |
Raw OD Value: r im |
0.4390±0.0271529 |
Normalized OD Score: sc h |
1.0536±0.0217425 |
Z-Score: |
0.9801±0.438467 |
p-Value: |
0.349918 |
Z-Factor: |
-1.80402 |
Fitness Defect: |
1.0501 |
Bioactivity Statement: |
Nonactive |
Experimental Conditions | | Library: | Spectrum | Plate Number and Position: | 2|G6 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 23.60 Celcius | Date: | 2006-03-16 YYYY-MM-DD | Plate CH Control (+): | 0.039975±0.00137 | Plate DMSO Control (-): | 0.4361±0.02017 | Plate Z-Factor: | 0.8170 |
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4164894 |
17-(hydroxymethyl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren- 3-ol |
4322953 |
4,4,10,13-tetramethyl-1,2,3,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-3,17-diol |
4529640 |
[17-(5-ethyl-6-methyl-heptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopent a[a]phenanthren-3-yl]oxidanium |
4578446 |
n/a |
5248235 |
n/a |
5280794 |
(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 |
internal high similarity DBLink | Rows returned: 8 | 1 2 Next >> |
active | Cluster 17506 | Additional Members: 20 | Rows returned: 4 | |
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