Compound Information | SONAR Target prediction | Name: | Asarinin (-) | Unique Identifier: | LAT001B05 | MolClass: | Checkout models in ver1.5 and ver1.0 | Molecular Formula: | C20H18O6 | 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 |
Species: |
4932 |
Condition: |
pdr22h |
Replicates: |
2 |
Raw OD Value: r im |
0.6445±0.0013435 |
Normalized OD Score: sc h |
0.9429±0.00577056 |
Z-Score: |
-2.1704±0.617375 |
p-Value: |
0.0460428 |
Z-Factor: |
-15.9827 |
Fitness Defect: |
3.0782 |
Bioactivity Statement: |
Nonactive |
Experimental Conditions | | Library: | LATCA | Plate Number and Position: | 1|B5 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 26.90 Celcius | Date: | 2007-03-08 YYYY-MM-DD | Plate CH Control (+): | 0.039875±0.00191 | Plate DMSO Control (-): | 0.69555±0.23190 | Plate Z-Factor: | -0.0688 |
| png ps pdf |
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 |
10089592 |
5-[(1S,4S,5S,8R)-8-benzo[1,3]dioxol-5-yl-3,7-dioxabicyclo[3.3.0]oct-4-yl]-2-methoxy-phenol |
10247670 |
4-[(1R,4S,5R,8S)-8-benzo[1,3]dioxol-5-yl-3,7-dioxabicyclo[3.3.0]oct-4-yl]-2-methoxy-phenol |
internal high similarity DBLink | Rows returned: 2 | |
active | Cluster 9360 | Additional Members: 8 | Rows returned: 1 | |
|