| 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: |
CLA4 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.6516±0.0118794 |
| Normalized OD Score: sc h |
1.0194±0.0165735 |
| Z-Score: |
0.8684±0.76376 |
| p-Value: |
0.4508 |
| Z-Factor: |
-9.19483 |
| Fitness Defect: |
0.7967 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Spectrum | | Plate Number and Position: | 8|C2 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 25.70 Celcius | | Date: | 2007-09-12 YYYY-MM-DD | | Plate CH Control (+): | 0.03985±0.00056 | | Plate DMSO Control (-): | 0.6387750000000001±0.03313 | | Plate Z-Factor: | 0.8286 |
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ps
pdf |
| 98974 |
pentadecan-6-ol |
| 99038 |
2,6,6-trimethylnorpinan-3-ol |
| 99868 |
decan-5-ol |
| 99892 |
6,6-dimethylnorpinan-2-ol |
| 100939 |
n/a |
| 101341 |
(3R,4R,4aR,6aS,6aR,6bR,8aR,12aR,14aR,14bR)-4,4a,6a,6b,8a,11,11,14a-octamethyl-1,2,3,4,5,6,6a,7,8,9,10,12
,12a,13,14,14b-hexadecahydropicen-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 >> |
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