| 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: |
MKK1 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.7730±0.00141421 |
| Normalized OD Score: sc h |
1.0074±0.013147 |
| Z-Score: |
0.2228±0.387356 |
| p-Value: |
0.789324 |
| Z-Factor: |
-615.244 |
| Fitness Defect: |
0.2366 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Spectrum_ED | | Plate Number and Position: | 19|G8 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 595 nm | | Robot Temperature: | 30.00 Celcius | | Date: | 2010-08-10 YYYY-MM-DD | | Plate CH Control (+): | 0.104±0.00970 | | Plate DMSO Control (-): | 0.938±0.02802 | | Plate Z-Factor: | 0.8675 |
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| 12121995 |
(1S,3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-ol |
| 13109021 |
(2S,4S)-2,4,6-trimethylheptan-1-ol |
| 14512388 |
barium(+2) cation; 2-ethylhexan-1-olate |
| 15559396 |
(3S,8S,9S,10S,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methyl-heptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,1
2,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol |
| 15605903 |
(1S,2S,4R)-4-methyl-2-propan-2-yl-cyclohexan-1-ol |
| 15939348 |
[(1S,5S,7R)-7-bicyclo[3.2.0]heptyl]methanol |
| 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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