| 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: |
BEM2 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.6529±0.00601041 |
| Normalized OD Score: sc h |
0.9940±0.00434007 |
| Z-Score: |
-0.1109±0.229923 |
| p-Value: |
0.871634 |
| Z-Factor: |
-25.7222 |
| Fitness Defect: |
0.1374 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Spectrum | | Plate Number and Position: | 5|E9 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 25.40 Celcius | | Date: | 2006-03-25 YYYY-MM-DD | | Plate CH Control (+): | 0.0421±0.00217 | | Plate DMSO Control (-): | 0.648225±0.01268 | | Plate Z-Factor: | 0.9354 |
|  png
ps
pdf |
| 162481 |
n/a |
| 162512 |
1-(3,3-dimethylnorbornan-2-yl)ethanone |
| 163796 |
n/a |
| 165266 |
6,6-dimethylnorpinane-2-carbaldehyde |
| 166357 |
3,3,5,5-tetramethyldecalin-2-one |
| 167735 |
(4S,4aR,6aS,6aR,6bR,8aR,12aR,14aS,14bR)-4,4a,6a,6b,8a,11,11,14a-octamethyl-2,3,4,5,6a,7,8,9,10,12,12a,13
,14,14b-tetradecahydro-1H-picen-6-one |
| internal high similarity DBLink | Rows returned: 17 | 1 2 3 Next >> |
| active | Cluster 10481 | Additional Members: 1 | Rows returned: 0 | |
|
