| Compound Information | SONAR Target prediction | | Name: | FUCOSTANOL | | Unique Identifier: | SPE01504053 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | | | Molecular Weight: | 364.31 g/mol | | X log p: | 1.79 (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)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C)C(C)C | | Class: | sterol | | Source: | Calendula officinalis | | Reference: | J Am Chem Soc 60: 2431 (1938) | | Generic_name: | 5-ALPHA-ANDROSTANE-3-BETA,17BETA-DIOL | | Chemical_iupac_name: | 5-ALPHA-ANDROSTANE-3-BETA,17BETA-DIOL | | Drug_type: | Experimental | | Drugbank_id: | EXPT00530 | | Logp: | 3.73 | | Drug_category: | Sex Hormone-Binding Globulin inhibitor | | Organisms_affected: | -1 |
| Species: |
4932 |
| Condition: |
SKT5 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.6809±0.00841457 |
| Normalized OD Score: sc h |
0.9881±0.00000691209 |
| Z-Score: |
-0.5901±0.00386377 |
| p-Value: |
0.555108 |
| Z-Factor: |
-4.40582 |
| Fitness Defect: |
0.5886 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | SPECMTS3 | | Plate Number and Position: | 16|A9 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 25.10 Celcius | | Date: | 2008-06-17 YYYY-MM-DD | | Plate CH Control (+): | 0.040825±0.00065 | | Plate DMSO Control (-): | 0.6724749999999999±0.01198 | | Plate Z-Factor: | 0.9230 |
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| 172425 |
4-(1,2,2,6-tetramethylcyclohexyl)butan-2-ol |
| 172501 |
6,8-dimethylnonan-2-ol |
| 172911 |
8-methylnonan-1-olate; titanium(+4) cation |
| 172940 |
titanium(+4) cation; tridecan-1-olate |
| 172941 |
2-methyl-1-(1,7,7-trimethylnorbornan-2-yl)cyclohexan-1-ol |
| 173532 |
3-methyl-2-pentyl-cyclopentan-1-ol |
| internal high similarity DBLink | Rows returned: 38 | 1 2 3 4 5 6 7 Next >> |
| active | Cluster 2228 | Additional Members: 18 | Rows returned: 7 | 1 2 Next >> |
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