| 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: |
IKI3 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.6721±0.000424264 |
| Normalized OD Score: sc h |
1.0070±0.0117724 |
| Z-Score: |
0.3222±0.5638 |
| p-Value: |
0.705018 |
| Z-Factor: |
-45.4672 |
| Fitness Defect: |
0.3495 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | SPECMTS3 | | Plate Number and Position: | 11|B2 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 26.10 Celcius | | Date: | 2008-06-12 YYYY-MM-DD | | Plate CH Control (+): | 0.041075±0.00056 | | Plate DMSO Control (-): | 0.6491750000000001±0.01925 | | Plate Z-Factor: | 0.8948 |
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ps
pdf |
| 7052975 |
(5S,8R,9R,10S,13R,14S)-5,10,13-trimethyl-1,2,4,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthre
ne-3,17-dione |
| 7052976 |
(5R,8R,9R,10S,13R,14S)-5,10,13-trimethyl-1,2,4,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthre
ne-3,17-dione |
| 7053103 |
(5S,8R,9R,10S,13R,14S,17S)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,4,5,6,7,8,9,11,12,14,15,16,1
7-tetradecahydrocyclopenta[a]phenanthren-3-one |
| 7053104 |
(5S,8R,9R,10S,13R,14S,17S)-10,13-dimethyl-17-[(2S)-6-methylheptan-2-yl]-1,2,4,5,6,7,8,9,11,12,14,15,16,1
7-tetradecahydrocyclopenta[a]phenanthren-3-one |
| 7053105 |
(5S,8R,9R,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,4,5,6,7,8,9,11,12,14,15,16,1
7-tetradecahydrocyclopenta[a]phenanthren-3-one |
| 7053106 |
(5S,8R,9R,10S,13R,14S,17R)-10,13-dimethyl-17-[(2S)-6-methylheptan-2-yl]-1,2,4,5,6,7,8,9,11,12,14,15,16,1
7-tetradecahydrocyclopenta[a]phenanthren-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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