| Compound Information | SONAR Target prediction | | Name: | MENTHONE | | Unique Identifier: | SPE00300564 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | | | Molecular Weight: | 136.106 g/mol | | X log p: | -0.199 (online calculus) | | Lipinksi Failures | 0 | | TPSA | 17.07 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 1 | | Rotatable Bond Count: | 1 | | Canonical Smiles: | CC(C)C1CCC(C)CC1=O | | Class: | terpene | | Source: | pennyroyal and peppermint oils | | Reference: | J Org Chem 25: 1434 (1960) | | Generic_name: | 5ALPHA-ANDROSTAN-3,17-DIONE | | Chemical_iupac_name: | 5ALPHA-ANDROSTAN-3,17-DIONE | | Drug_type: | Experimental | | Drugbank_id: | EXPT00262 | | Drug_category: | Estradiol 17 Beta-Dehydrogenase 1 inhibitor | | Organisms_affected: | -1 |
| Species: |
4932 |
| Condition: |
CIN2 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.8274±0.00282843 |
| Normalized OD Score: sc h |
1.0111±0.0108681 |
| Z-Score: |
0.6216±0.601915 |
| p-Value: |
0.569842 |
| Z-Factor: |
-9.06839 |
| Fitness Defect: |
0.5624 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Spectrum | | Plate Number and Position: | 5|E9 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 24.40 Celcius | | Date: | 2006-02-14 YYYY-MM-DD | | Plate CH Control (+): | 0.03949999999999999±0.00126 | | Plate DMSO Control (-): | 0.7910250000000001±0.02006 | | Plate Z-Factor: | 0.8856 |
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ps
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| 5320608 |
(2S)-2,6,6-trimethylnorpinan-3-one |
| 5321106 |
1,7-dimethylnorbornan-2-one |
| 5321946 |
(4R)-4-methyl-1-propan-2-yl-bicyclo[3.1.0]hexan-3-one |
| 5351554 |
(4R,4aR,6aR,6bR,8aR,12aR,14aR,14bR)-4,4a,6a,6b,8a,11,11,14a-octamethyl-2,4,5,6,6a,7,8,9,10,12,12a,13,14,
14b-tetradecahydro-1H-picen-3-one |
| 5371410 |
1-cyclopentylpropan-1-one |
| 5375717 |
1-cyclopentylpentan-1-one |
| internal high similarity DBLink | Rows returned: 17 | 1 2 3 Next >> |
| active | Cluster 10481 | Additional Members: 1 | Rows returned: 0 | |
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