Compound Information | SONAR Target prediction | Name: | IRIGINOL HEXAACEATATE | Unique Identifier: | SPE00211012 | MolClass: | Checkout models in ver1.5 and ver1.0 | Molecular Formula: | | Molecular Weight: | 548.281 g/mol | X log p: | 8.227 (online calculus) | Lipinksi Failures | 3 | TPSA | 184.1 | Hydrogen Bond Donor Count: | 0 | Hydrogen Bond Acceptors Count: | 14 | Rotatable Bond Count: | 13 | Canonical Smiles: | CC(=O)Oc1cc2OC=C(C(=O)c2c(OC(C)=O)c1OC(C)=O)c1cc(OC(C)=O)c(OC(C)=O)c(O C(C)=O)c1 | Class: | isoflavone | Source: | semisynthetic |
Species: |
4932 |
Condition: |
BY4741-2nd |
Replicates: |
2 |
Raw OD Value: r im |
0.9420±0.0192333 |
Normalized OD Score: sc h |
0.8575±0.0359736 |
Z-Score: |
-5.6687±1.62485 |
p-Value: |
0.0000030958 |
Z-Factor: |
-0.0648667 |
Fitness Defect: |
12.6855 |
Bioactivity Statement: |
Active |
Experimental Conditions | | Library: | Spectrum_ED | Plate Number and Position: | 16|F4 | Drug Concentration: | 50.00 nM | OD Absorbance: | 595 nm | Robot Temperature: | 30.00 Celcius | Date: | 2012-05-28 YYYY-MM-DD | Plate CH Control (+): | 0.0985±0.00655 | Plate DMSO Control (-): | 0.9555±0.04473 | Plate Z-Factor: | 0.8205 |
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DBLink | Rows returned: 1 | |
3505890 |
[5,7-diacetyloxy-4-oxo-3-(3,4,5-triacetyloxyphenyl)chromen-6-yl] acetate |
internal high similarity DBLink | Rows returned: 0 | |
nonactive | Cluster 1426 | Additional Members: 2 | Rows returned: 1 | |
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