| 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: |
RSC2 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.3541±0.0175362 |
| Normalized OD Score: sc h |
0.9802±0.0103239 |
| Z-Score: |
-0.5350±0.257239 |
| p-Value: |
0.598752 |
| Z-Factor: |
-4.42328 |
| Fitness Defect: |
0.5129 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | SPECMTS3 | | Plate Number and Position: | 16|A9 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 24.50 Celcius | | Date: | 2007-12-12 YYYY-MM-DD | | Plate CH Control (+): | 0.04305±0.00069 | | Plate DMSO Control (-): | 0.343675±0.01367 | | Plate Z-Factor: | 0.8850 |
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| 5748695 |
(4R,10S)-4-ethyl-10-heptan-4-yl-pentadecan-1-ol |
| 5748799 |
(4S)-4-propylnonan-1-ol |
| 6097649 |
n/a |
| 6321405 |
(1R,2R,4R)-1,7,7-trimethylnorbornan-2-ol |
| 6325781 |
n/a |
| 6326181 |
(1S,4R,5R)-4-methyl-1-propan-2-yl-bicyclo[3.1.0]hexan-4-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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