| 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: |
CIN2 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.7809±0.0280721 |
| Normalized OD Score: sc h |
1.0049±0.000790549 |
| Z-Score: |
0.2772±0.0398699 |
| p-Value: |
0.781712 |
| Z-Factor: |
-4.93284 |
| Fitness Defect: |
0.2463 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Spectrum | | Plate Number and Position: | 8|C2 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 24.90 Celcius | | Date: | 2006-02-14 YYYY-MM-DD | | Plate CH Control (+): | 0.038849999999999996±0.00167 | | Plate DMSO Control (-): | 0.75345±0.00933 | | Plate Z-Factor: | 0.9581 |
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ps
pdf |
| 192943 |
n/a |
| 194329 |
n/a |
| 194473 |
(3R,5R,8R,9S,10S,13R,14S,17R)-17-[(2R)-7-hydroxy-6-methyl-heptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11
,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol |
| 194801 |
(8R,9S,10S,13S,14S)-17-ethyl-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]
phenanthren-17-ol |
| 195951 |
(1S,2R,4aS,4bS,6aR,8R,10aS,10bS,12aS)-2,10a,12a-trimethyl-1,2,3,4,4a,4b,5,6,6a,7,8,9,10,10b,11,12-hexade
cahydrochrysene-1,8-diol |
| 196431 |
(8R,9S,10S,13S,14S)-17-ethyl-13-methyl-2,3,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydro-1H-cyclopenta[a]
phenanthrene-3,17-diol |
| 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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