| 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: |
SPE01502223 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.2241±0.0331633 |
| Normalized OD Score: sc h |
0.5623±0.0593503 |
| Z-Score: |
-8.3622±0.0245176 |
| p-Value: |
6.22374e-17 |
| Z-Factor: |
-0.00303103 |
| Fitness Defect: |
37.3156 |
| Bioactivity Statement: |
Active |
| Experimental Conditions | | | Library: | SpectrumTMP | | Plate Number and Position: | 2|G8 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 595 nm | | Robot Temperature: | 22.60 Celcius | | Date: | 2006-11-29 YYYY-MM-DD | | Plate CH Control (+): | 0.04055±0.00214 | | Plate DMSO Control (-): | 0.440925±0.04520 | | Plate Z-Factor: | 0.6847 |
|  png
ps
pdf |
| 5204 |
5-(8-benzo[1,3]dioxol-5-yl-3,7-dioxabicyclo[3.3.0]oct-4-yl)benzo[1,3]dioxole |
| 72307 |
5-[(1R,4S,5R,8S)-4-benzo[1,3]dioxol-5-yl-3,7-dioxabicyclo[3.3.0]oct-8-yl]benzo[1,3]dioxole |
| 101612 |
5-[(1R,4R,5R,8S)-4-benzo[1,3]dioxol-5-yl-3,7-dioxabicyclo[3.3.0]oct-8-yl]benzo[1,3]dioxole |
| 130679 |
4-(4-benzo[1,3]dioxol-5-yl-3,7-dioxabicyclo[3.3.0]oct-8-yl)-2-methoxy-phenol |
| 233333 |
5-[(1S,4S,5S)-4-benzo[1,3]dioxol-5-yl-3,7-dioxabicyclo[3.3.0]oct-8-yl]benzo[1,3]dioxole |
| 382073 |
5-[(1S,4R,5S,8R)-4-benzo[1,3]dioxol-5-yl-3,7-dioxabicyclo[3.3.0]oct-8-yl]benzo[1,3]dioxole |
| internal high similarity DBLink | Rows returned: 0 | |
| active | Cluster 9360 | Additional Members: 8 | Rows returned: 1 | |
|
