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 |
Replicates: |
2 |
Raw OD Value: r im |
0.7385±0.0155563 |
Normalized OD Score: sc h |
0.9968±0.00967738 |
Z-Score: |
0.9169±0.335841 |
p-Value: |
0.372614 |
Z-Factor: |
-2.74025 |
Fitness Defect: |
0.9872 |
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±0.00484 | Plate DMSO Control (-): | 0.9405000000000001±0.02182 | Plate Z-Factor: | 0.9156 |
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223407 |
10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol |
225743 |
(3S,8R,9S,10R,13S,14S,17S)-4,4,10,13-tetramethyl-1,2,3,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]p henanthrene-3,17-diol |
229021 |
(3S,8R,9S,10R,13S,14S,17S)-10,13,17-trimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phena nthrene-3,17-diol |
241760 |
10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,16-diol |
241761 |
(3S,8R,9S,10R,13R,14S,16S)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phen anthrene-3,16-diol |
242346 |
n/a |
internal high similarity DBLink | Rows returned: 8 | 1 2 Next >> |
active | Cluster 17506 | Additional Members: 20 | Rows returned: 4 | |
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