| 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: |
IRE1 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.7207±0.00657609 |
| Normalized OD Score: sc h |
0.9855±0.0104071 |
| Z-Score: |
-0.2654±0.567737 |
| p-Value: |
0.698324 |
| Z-Factor: |
-553.883 |
| Fitness Defect: |
0.3591 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Spectrum | | Plate Number and Position: | 5|E9 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 24.80 Celcius | | Date: | 2007-11-23 YYYY-MM-DD | | Plate CH Control (+): | 0.0401±0.00061 | | Plate DMSO Control (-): | 0.71305±0.02182 | | Plate Z-Factor: | 0.8979 |
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| 6432163 |
(3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydroinden-1-one |
| 6432298 |
(3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydroinden-1-one |
| 6432452 |
(1S,4S)-4-methyl-1-propan-2-yl-bicyclo[3.1.0]hexan-3-one |
| 6432469 |
(2S,5S)-5-methyl-2-propan-2-yl-cyclohexan-1-one |
| 6432474 |
(2S,5S)-2-methyl-5-propan-2-yl-cyclohexan-1-one |
| 6451956 |
(1S,4S,6R)-4,7,7-trimethylnorcaran-3-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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