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: |
TPK1 |
Replicates: |
2 |
Raw OD Value: r im |
0.6062±0.00494975 |
Normalized OD Score: sc h |
0.8928±0.0177287 |
Z-Score: |
-5.1626±0.767332 |
p-Value: |
0.00000192432 |
Z-Factor: |
-0.154047 |
Fitness Defect: |
13.1609 |
Bioactivity Statement: |
Active |
Experimental Conditions | | Library: | SPECMTS3 | Plate Number and Position: | 11|G3 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 24.80 Celcius | Date: | 2008-04-25 YYYY-MM-DD | Plate CH Control (+): | 0.04025±0.00035 | Plate DMSO Control (-): | 0.665025±0.01602 | Plate Z-Factor: | 0.9279 |
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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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