| 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: |
SHM2 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.7983±0.00961665 |
| Normalized OD Score: sc h |
1.0054±0.00559608 |
| Z-Score: |
0.1951±0.199999 |
| p-Value: |
0.846832 |
| Z-Factor: |
-7.67761 |
| Fitness Defect: |
0.1663 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Spectrum | | Plate Number and Position: | 8|C2 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 25.20 Celcius | | Date: | 2006-04-08 YYYY-MM-DD | | Plate CH Control (+): | 0.03765±0.00214 | | Plate DMSO Control (-): | 0.78345±0.01483 | | Plate Z-Factor: | 0.9241 |
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| 15818 |
(3R,5S,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclope
nta[a]phenanthrene-3,17-diol |
| 16021 |
1-ethylcyclohexan-1-ol |
| 16071 |
bicyclo[3.2.1]octan-2-ol |
| 16320 |
decan-4-ol |
| 16666 |
(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexan-1-ol |
| 16913 |
1,2,7,7-tetramethylnorbornan-2-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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