| 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: |
GPR1 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.7542±0.0161927 |
| Normalized OD Score: sc h |
1.0175±0.00457472 |
| Z-Score: |
0.4929±0.0989153 |
| p-Value: |
0.622956 |
| Z-Factor: |
-1.50252 |
| Fitness Defect: |
0.4733 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Spectrum | | Plate Number and Position: | 5|G11 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 25.30 Celcius | | Date: | 2006-03-02 YYYY-MM-DD | | Plate CH Control (+): | 0.038825±0.00091 | | Plate DMSO Control (-): | 0.7597749999999999±0.00823 | | Plate Z-Factor: | 0.9636 |
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ps
pdf |
| 534430 |
4,4,10,13-tetramethyl-1,2,3,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol |
| 537184 |
17-(5,6-dimethylheptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]ph
enanthrene-3,12-diol |
| 542673 |
17-(1-hydroxyethyl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren
-3-ol |
| 543289 |
17-(5-hydroxypentan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phena
nthren-3-ol |
| 543574 |
17-(5-hydroxypentan-2-yl)-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren
-3-ol |
| 543618 |
17-(6-hydroxy-6-methyl-octan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopent
a[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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