| 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: |
GIM4 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.7397±0.000494975 |
| Normalized OD Score: sc h |
0.9909±0.00186463 |
| Z-Score: |
-0.4224±0.0920063 |
| p-Value: |
0.673402 |
| Z-Factor: |
-8.35608 |
| Fitness Defect: |
0.3954 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | SPECMTS3 | | Plate Number and Position: | 16|A9 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 23.60 Celcius | | Date: | 2008-03-20 YYYY-MM-DD | | Plate CH Control (+): | 0.040374999999999994±0.00137 | | Plate DMSO Control (-): | 0.721575±0.01435 | | Plate Z-Factor: | 0.9304 |
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ps
pdf |
| 127356 |
(3R,7R,11S,15S,18S,22S,26R,30R)-3,7,11,15,18,22,26,30-octamethyldotriacontane-1,32-diol |
| 130876 |
(3S,5S,8R,9S,10S,13R,14S,15S,17R)-17-[(2R,5S)-5,6-dimethylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11
,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,15-diol |
| 131039 |
n/a |
| 132021 |
(8R,9S,10S,13R,14S,17R)-17-[(2R,5R)-5-hydroxy-5,6-dimethyl-heptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,1
1,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol |
| 133309 |
(3S,4S,5S,8S,9S,10S,13R,14S,17R)-4,10,13-trimethyl-17-[(2R)-4,5,6-trimethylheptan-2-yl]-2,3,4,5,6,7,8,9,
11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol |
| 133454 |
n/a |
| 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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