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: |
BY4741-3rd |
Replicates: |
2 |
Raw OD Value: r im |
0.9050±0.00523259 |
Normalized OD Score: sc h |
0.9935±0.000970035 |
Z-Score: |
0.5498±0.0673805 |
p-Value: |
0.582876 |
Z-Factor: |
-8.37613 |
Fitness Defect: |
0.5398 |
Bioactivity Statement: |
Nonactive |
Experimental Conditions | | Library: | Spectrum_ED | Plate Number and Position: | 16|C4 | Drug Concentration: | 50.00 nM | OD Absorbance: | 595 nm | Robot Temperature: | 30.00 Celcius | Date: | 2010-08-10 YYYY-MM-DD | Plate CH Control (+): | 0.09499999999999999±0.00500 | Plate DMSO Control (-): | 0.955±0.01825 | Plate Z-Factor: | 0.9150 |
| png ps pdf |
5283660 |
(3S,8S,9S,10R,13R,14S,17R)-17-[(E,2S,5S)-5,6-dimethylhept-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 |
5283661 |
(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(E,2S)-6-methylhept-3-en-2-yl]-2,3,4,7,8,9,11,12,14,15,16, 17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol |
5283668 |
(3S,8S,9S,10R,13R,14S,17R)-17-[(E,2R)-5-ethyl-6-methyl-hept-4-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 |
5284644 |
(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2S)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-do decahydro-1H-cyclopenta[a]phenanthren-3-ol |
5314026 |
(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-7,7,7-trideuterio-6-methyl-hept-5-en-2-yl]-2,3,4,7,8, 9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol |
5314028 |
(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R,5S)-7,7,7-trideuterio-5-hydroxy-6-methyl-heptan-2-yl]- 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 | |
|