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: |
BNI1 |
Replicates: |
2 |
Raw OD Value: r im |
0.7056±0.00572756 |
Normalized OD Score: sc h |
1.0047±0.00648467 |
Z-Score: |
0.2393±0.327727 |
p-Value: |
0.81581 |
Z-Factor: |
-10.4081 |
Fitness Defect: |
0.2036 |
Bioactivity Statement: |
Nonactive |
Experimental Conditions | | Library: | Spectrum | Plate Number and Position: | 5|E9 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 25.30 Celcius | Date: | 2007-09-14 YYYY-MM-DD | Plate CH Control (+): | 0.04215±0.00127 | Plate DMSO Control (-): | 0.6956±0.03546 | Plate Z-Factor: | 0.8258 |
| png ps pdf |
15229 |
dodecan-3-one |
16275 |
cyclohexanecarbaldehyde |
17000 |
2,2,6-trimethylcyclohexan-1-one |
17616 |
2-(3-acetyl-2,2-dimethyl-cyclobutyl)acetaldehyde |
17697 |
pentadecanal |
17780 |
2,6-dimethylcyclohexan-1-one |
internal high similarity DBLink | Rows returned: 17 | 1 2 3 Next >> |
active | Cluster 10481 | Additional Members: 1 | Rows returned: 0 | |
|