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: |
CLN2 |
Replicates: |
2 |
Raw OD Value: r im |
0.6382±0.0170413 |
Normalized OD Score: sc h |
0.9681±0.0182804 |
Z-Score: |
-2.3654±0.698456 |
p-Value: |
0.0327592 |
Z-Factor: |
-18.717 |
Fitness Defect: |
3.4186 |
Bioactivity Statement: |
Nonactive |
Experimental Conditions | | Library: | Spectrum | Plate Number and Position: | 2|G6 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 25.40 Celcius | Date: | 2007-11-16 YYYY-MM-DD | Plate CH Control (+): | 0.04115±0.00077 | Plate DMSO Control (-): | 0.6551999999999999±0.11358 | Plate Z-Factor: | 0.4257 |
| png ps pdf |
440136 |
(3S)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol |
440711 |
(3S,8S,9S,10R,13R,14S,17S)-17-[(2R)-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 |
441827 |
(3S,8S,9S,10R,13R,14S,17R)-17-[(2S,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,1 5,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol |
441834 |
(3S,8S,9S,10R,13R,14S,17R)-17-[(2S,5R)-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 |
457801 |
(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5S)-5-ethyl-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 |
472766 |
(3S,8S,9R,10S,13R,14S)-4,4,9,13,14-pentamethyl-17-[(2R)-6-methylhept-5-en-2-yl]-2,3,7,8,10,11,12,15,16,1 7-decahydro-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 | |
|