| 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: |
BEM2 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.6562±0.0165463 |
| Normalized OD Score: sc h |
0.9966±0.00636403 |
| Z-Score: |
0.3238±0.357238 |
| p-Value: |
0.753808 |
| Z-Factor: |
-10.8756 |
| Fitness Defect: |
0.2826 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Spectrum | | Plate Number and Position: | 8|C2 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 25.60 Celcius | | Date: | 2006-03-25 YYYY-MM-DD | | Plate CH Control (+): | 0.0417±0.00147 | | Plate DMSO Control (-): | 0.642325±0.00873 | | Plate Z-Factor: | 0.9398 |
|  png
ps
pdf |
| 7158389 |
(3S,5S,8R,9R,10S,13R,14S,17S)-17-(1-hydroxyethyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetra
decahydro-1H-cyclopenta[a]phenanthren-3-ol |
| 7158390 |
(3S,5S,8R,9R,10S,13R,14S,17S)-17-(1-hydroxyethyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetra
decahydro-1H-cyclopenta[a]phenanthren-3-ol |
| 7158420 |
(3R,5S,8R,9R,10S,13R,14S,17S)-3-(2,2-dimethylpropyl)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,4,
5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol |
| 7158421 |
(3R,5S,8R,9R,10S,13R,14S,17S)-3-(2,2-dimethylpropyl)-10,13-dimethyl-17-[(2S)-6-methylheptan-2-yl]-1,2,4,
5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol |
| 7158422 |
(3R,5S,8R,9R,10S,13R,14S,17R)-3-(2,2-dimethylpropyl)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,4,
5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol |
| 7158423 |
(3R,5S,8R,9R,10S,13R,14S,17R)-3-(2,2-dimethylpropyl)-10,13-dimethyl-17-[(2S)-6-methylheptan-2-yl]-1,2,4,
5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-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 >> |
|
