| Compound Information | SONAR Target prediction | | Name: | ASARININ (-) | | Unique Identifier: | SPE01504180 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | | | Molecular Weight: | 336.21 g/mol | | X log p: | 14.384 (online calculus) | | Lipinksi Failures | 1 | | TPSA | 55.38 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 6 | | Rotatable Bond Count: | 2 | | Canonical Smiles: | C1Oc2ccc(cc2O1)C1OCC2C1COC2c1ccc2OCOc2c1 | | Class: | aromatic | | Source: | Asarum & Xanthoxylum spp | | Reference: | Aust J Chem 1: 384 (1954); 26: 687 (1973) | | Therapeutics: | antibacterial (tuberculostatic) |
| Species: |
4932 |
| Condition: |
SPE00201081 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.4619±0.00509117 |
| Normalized OD Score: sc h |
0.8370±0.00237955 |
| Z-Score: |
-5.5079±0.162317 |
| p-Value: |
0.0000000440214 |
| Z-Factor: |
0.33889 |
| Fitness Defect: |
16.9386 |
| Bioactivity Statement: |
Active |
| Experimental Conditions | | | Library: | SpectrumTMP | | Plate Number and Position: | 2|G8 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 21.50 Celcius | | Date: | 2006-12-15 YYYY-MM-DD | | Plate CH Control (+): | 0.039625±0.00167 | | Plate DMSO Control (-): | 0.5811±0.02103 | | Plate Z-Factor: | 0.8680 |
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| 5315338 |
4-[(1R,4S,5R,8R)-4-benzo[1,3]dioxol-5-yl-3,7-dioxabicyclo[3.3.0]oct-8-yl]-2-methoxy-phenol |
| 7059610 |
5-[(1S,4S,5R,8S)-8-benzo[1,3]dioxol-5-yl-3,7-dioxabicyclo[3.3.0]oct-4-yl]benzo[1,3]dioxole |
| 7059611 |
5-[(1S,4S,5R,8R)-8-benzo[1,3]dioxol-5-yl-3,7-dioxabicyclo[3.3.0]oct-4-yl]benzo[1,3]dioxole |
| 7566371 |
5-[(1S,4R,5R,8S)-8-benzo[1,3]dioxol-5-yl-3,7-dioxabicyclo[3.3.0]oct-4-yl]benzo[1,3]dioxole |
| internal high similarity DBLink | Rows returned: 0 | |
| active | Cluster 9360 | Additional Members: 8 | Rows returned: 1 | |
|
