| 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 |
0.7560±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_ED | | Plate Number and Position: | 17|D7 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 595 nm | | Robot Temperature: | 30.00 Celcius | | Date: | 2010-08-10 YYYY-MM-DD | | Plate CH Control (+): | 0.09700000000000002±0.00475 | | Plate DMSO Control (-): | 0.9204999999999999±0.02041 | | Plate Z-Factor: | 0.8930 |
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ps
pdf |
| 2754094 |
n/a |
| 2754259 |
n/a |
| 2754260 |
(5S,10S,13R,17R)-10,13-dimethyl-17-[(2S)-6-methylheptan-2-yl]-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradec
ahydrocyclopenta[a]phenanthren-3-one |
| 2775995 |
4,4-dipropylcyclohexan-1-one |
| 2776101 |
1-[1-(2-methylpropyl)cyclohexyl]propan-2-one |
| 2778021 |
n/a |
| internal high similarity DBLink | Rows returned: 17 | 1 2 3 Next >> |
| active | Cluster 10481 | Additional Members: 1 | Rows returned: 0 | |
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