| Compound Information | SONAR Target prediction | | Name: | QUERCETIN | | Unique Identifier: | SPE01500672 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | | | Molecular Weight: | 292.156 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: | Oc1cc(O)c2C(=O)C(O)=C(Oc2c1)c1ccc(O)c(O)c1 | | Class: | flavone | | Source: | Solanaceae, Rhamnaceae, Passifloraceae, Umbelliferae genera | | Reference: | Chem Ber 103:3674 (1970); Experientia 28:380 (1972); Phytochemistry 12:1787 (1973);
IARC Monog 31:213 Suppl 7:71 (1983); Antiviral Res 12:99 (1989) | | Therapeutics: | capillary protectant, antioxidant. antineoplastic, anti-HIV; LD50(mouse) 159 mg/kg
po | | 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: |
4932 |
| Condition: |
GIM4 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.6487±0.0108894 |
| Normalized OD Score: sc h |
0.8788±0.00958492 |
| Z-Score: |
-5.6258±0.375509 |
| p-Value: |
0.0000000434708 |
| Z-Factor: |
0.0421866 |
| Fitness Defect: |
16.9512 |
| Bioactivity Statement: |
Active |
| Experimental Conditions | | | Library: | SPECMTS3 | | Plate Number and Position: | 8|H10 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 23.00 Celcius | | Date: | 2008-03-20 YYYY-MM-DD | | Plate CH Control (+): | 0.040325±0.00054 | | Plate DMSO Control (-): | 0.721675±0.01987 | | Plate Z-Factor: | 0.8964 |
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ps
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| 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: 12 | 1 2 Next >> |
| active | Cluster 10732 | Additional Members: 22 | Rows returned: 7 | 1 2 Next >> |
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