| Compound Information | SONAR Target prediction | | Name: | Quercetine dihydrate | | Unique Identifier: | Prest541 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | C15H14O9 | | Molecular Weight: | 324.155 g/mol | | X log p: | 11.519 (online calculus) | | Lipinksi Failures | 1 | | TPSA | 26.3 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 7 | | Rotatable Bond Count: | 1 | | Canonical Smiles: | O.O.Oc1cc(O)c2C(=O)C(O)=C(Oc2c1)c1ccc(O)c(O)c1 | | Generic_name: | 2-(3,4,5-TRIHYDROXYPHENYL)-3,5,7-TRIHYDR | | Chemical_iupac_name: | 3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-4H-CHROMEN-4-ONE | | Drug_type: | Experimental | | Drugbank_id: | EXPT02265 | | Drug_category: | Phosphatidylinositol 3-Kinase Catalytic Subu inhibitor | | Organisms_affected: | -1 |
| Species: |
9606 |
| Condition: |
TMPPre002 |
| Replicates: |
2 |
| Raw OD Value: r im |
6180.0000±0 |
| Normalized OD Score: sc h |
0.8265±0 |
| Z-Score: |
-3.9097±0 |
| p-Value: |
0.000092399 |
| Z-Factor: |
-11.4116 |
| Fitness Defect: |
9.2894 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Prestwick | | Plate Number and Position: | 7|C8 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 0 nm | | Robot Temperature: | 24.10 Celcius | | Date: | 2006-10-10 YYYY-MM-DD | | Plate CH Control (+): | 951.5±923.27222 | | Plate DMSO Control (-): | 2006±543.99595 | | Plate Z-Factor: | -4.4324 |
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ps
pdf |
| DBLink | Rows returned: 3 | |
| 5280343 |
2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-chromen-4-one |
| 5281672 |
3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one |
| 5284452 |
2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-chromen-4-one dihydrate |
| internal high similarity DBLink | Rows returned: 0 | |
| active | Cluster 10732 | Additional Members: 22 | Rows returned: 7 | 1 2 Next >> |
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