| 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: |
ATP4 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.6158±0.0125865 |
| Normalized OD Score: sc h |
0.9686±0.00325094 |
| Z-Score: |
-1.1794±0.201613 |
| p-Value: |
0.243002 |
| Z-Factor: |
-26.051 |
| Fitness Defect: |
1.4147 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | SPECMTS3 | | Plate Number and Position: | 11|B2 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 23.60 Celcius | | Date: | 2008-03-06 YYYY-MM-DD | | Plate CH Control (+): | 0.0401±0.00071 | | Plate DMSO Control (-): | 0.620625±0.04227 | | Plate Z-Factor: | 0.7769 |
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ps
pdf |
| 639397 |
(1S,6S)-8,8-dimethylbicyclo[4.1.1]octan-4-one |
| 641688 |
n/a |
| 641920 |
(1S,4S)-1,5,5-trimethylnorbornan-2-one |
| 641922 |
(1R,4S)-4-methyl-1-propan-2-yl-norbornan-2-one |
| 642498 |
(3R,5S)-3,5-dimethylcyclohexan-1-one |
| 642499 |
(3S,5S)-3,5-dimethylcyclohexan-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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