| 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: |
SAC3 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.4053±0.0170413 |
| Normalized OD Score: sc h |
0.9595±0.011044 |
| Z-Score: |
-1.0828±0.267994 |
| p-Value: |
0.287462 |
| Z-Factor: |
-2.14442 |
| Fitness Defect: |
1.2467 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | SPECMTS3 | | Plate Number and Position: | 23|H10 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 26.60 Celcius | | Date: | 2008-05-16 YYYY-MM-DD | | Plate CH Control (+): | 0.0401±0.00031 | | Plate DMSO Control (-): | 0.4235±0.01309 | | Plate Z-Factor: | 0.8905 |
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| 6450183 |
(3S,8S,10R,13R,14S,17R)-17-[(E)-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 |
| 6453370 |
(3S,8R,9S,10R,12S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,1
7-dodecahydro-1H-cyclopenta[a]phenanthrene-3,12-diol |
| 6453777 |
(3S,10S,13R,14S,17R)-14-(hydroxymethyl)-4,4,10,13-tetramethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,5,6,7,11
,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol |
| 6454969 |
(3S,5S,9R,10R,13R,15S,17R)-10,13,14-trimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,5,6,9,11,12,15,16,17
-dodecahydrocyclopenta[a]phenanthrene-3,15-diol |
| 6482590 |
(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,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;
(3S,8S,9S,10R,13R,14S,17R)-17-[(E,2S,5S)-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 |
| 6540511 |
(3S,8S,10R,13R,17R)-17-[(E,5S)-5-ethyl-6-methyl-hept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,1
6,17-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 | |
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