Compound Information | SONAR Target prediction | Name: | STIGMASTEROL | Unique Identifier: | SPE01504051 | MolClass: | Checkout models in ver1.5 and ver1.0 | Molecular Formula: | | Molecular Weight: | 364.31 g/mol | X log p: | 7.445 (online calculus) | Lipinksi Failures | 1 | TPSA | 0 | Hydrogen Bond Donor Count: | 0 | Hydrogen Bond Acceptors Count: | 1 | Rotatable Bond Count: | 5 | Canonical Smiles: | CCC(C=CC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C)C(C)C | Class: | sterol | Source: | soya and calabar beans; widely distributed in plant oils | 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: |
YPT6 |
Replicates: |
2 |
Raw OD Value: r im |
0.4542±0.0371231 |
Normalized OD Score: sc h |
0.9649±0.0279952 |
Z-Score: |
0.1471±0.303568 |
p-Value: |
0.831838 |
Z-Factor: |
-103.306 |
Fitness Defect: |
0.1841 |
Bioactivity Statement: |
Nonactive |
Experimental Conditions | | Library: | SPECMTS3 | Plate Number and Position: | 23|H10 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 25.10 Celcius | Date: | 2008-06-05 YYYY-MM-DD | Plate CH Control (+): | 0.0407±0.00103 | Plate DMSO Control (-): | 0.49019999999999997±0.03974 | Plate Z-Factor: | 0.9050 |
| png ps pdf |
247742 |
n/a |
251106 |
10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol |
252042 |
17-hexan-2-yl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol |
272778 |
4a,5,6-trimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-ol |
278217 |
1,1,4a-trimethyl-2,3,4,5,6,7-hexahydronaphthalen-2-ol |
280427 |
4,4,10,13-tetramethyl-17-(6-methylheptan-2-yl)-1,2,3,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phe nanthren-3-ol |
internal high similarity DBLink | Rows returned: 8 | 1 2 Next >> |
active | Cluster 17506 | Additional Members: 20 | Rows returned: 4 | |
|