| Compound Information | SONAR Target prediction | | Name: | SITOSTEROL, beta - | | Unique Identifier: | BIOMOL 418 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | C29H50O | | Molecular Weight: | 367.334 g/mol | | X log p: | 3.53 (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 | | 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: |
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| Condition: |
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| Replicates: |
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| Raw OD Value: r im |
± |
| Normalized OD Score: sc h |
± |
| Z-Score: |
± |
| p-Value: |
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| Z-Factor: |
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| Fitness Defect: |
INF |
| Bioactivity Statement: |
Toxic |
| Experimental Conditions | | | Library: | | | Plate Number and Position: | | | | Drug Concentration: | nM | | OD Absorbance: | nm | | Robot Temperature: | Celcius | | Date: | YYYY-MM-DD | | Plate CH Control (+): | ± | | Plate DMSO Control (-): | ± | | Plate Z-Factor: | |
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ps
pdf |
| 6566040 |
(3S,8S,9S,10S,13R,14R,17R)-17-ethyl-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]
phenanthrene-3,17-diol |
| 6572585 |
(3S,8S,9S,10S,13R,14S,17S)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phen
anthrene-3,17-diol |
| 6604213 |
(3S,8R,9S,10R,13S,14R,17S)-17-[(2S,5R)-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 |
| 6610351 |
(3S,10R,13R)-17-[(5R)-5-hydroxy-6-methyl-heptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodec
ahydro-1H-cyclopenta[a]phenanthren-3-ol |
| 6618634 |
n/a |
| 6708612 |
(3S,10R,13R,17R)-17-[(2S)-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: 0 | |
| active | Cluster 17506 | Additional Members: 20 | Rows returned: 4 | |
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