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: |
DOC1 |
Replicates: |
2 |
Raw OD Value: r im |
0.5027±0.00367696 |
Normalized OD Score: sc h |
0.8904±0.00277992 |
Z-Score: |
-3.8698±0.241251 |
p-Value: |
0.000134846 |
Z-Factor: |
0.021611 |
Fitness Defect: |
8.9114 |
Bioactivity Statement: |
Nonactive |
Experimental Conditions | | Library: | SPECMTS3 | Plate Number and Position: | 16|H10 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 25.60 Celcius | Date: | 2008-05-09 YYYY-MM-DD | Plate CH Control (+): | 0.04125±0.00038 | Plate DMSO Control (-): | 0.549025±0.01718 | Plate Z-Factor: | 0.8884 |
| 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 | |
|