Compound Information | SONAR Target prediction | Name: | PINOCEMBRIN | Unique Identifier: | SPE01504154 | MolClass: | Checkout models in ver1.5 and ver1.0 | Molecular Formula: | C15H12O4 | Molecular Weight: | 244.158 g/mol | X log p: | 14.716 (online calculus) | Lipinksi Failures | 1 | TPSA | 26.3 | Hydrogen Bond Donor Count: | 0 | Hydrogen Bond Acceptors Count: | 4 | Rotatable Bond Count: | 1 | Canonical Smiles: | Oc1cc(O)c2C(=O)CC(Oc2c1)c1ccccc1 | Source: | ex Pinus, Prunus, Eucalyptus spp | Reference: | Acta Chem Scand 5: 1, 121, 129 (1951); Chem Nat Comp 1: 111 (1986) | Therapeutics: | antiinflammatory |
Species: |
4932 |
Condition: |
PDE1 |
Replicates: |
2 |
Raw OD Value: r im |
0.7160±0.00608112 |
Normalized OD Score: sc h |
0.8843±0.000652276 |
Z-Score: |
-4.1760±0.175272 |
p-Value: |
0.0000339264 |
Z-Factor: |
0.264076 |
Fitness Defect: |
10.2913 |
Bioactivity Statement: |
Active |
Experimental Conditions | | Library: | Spectrum | Plate Number and Position: | 7|A6 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 24.00 Celcius | Date: | 2006-05-11 YYYY-MM-DD | Plate CH Control (+): | 0.03745±0.00186 | Plate DMSO Control (-): | 0.793525±0.02069 | Plate Z-Factor: | 0.8988 |
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DBLink | Rows returned: 3 | |
68071 |
(2S)-5,7-dihydroxy-2-phenyl-chroman-4-one |
238782 |
5,7-dihydroxy-2-phenyl-chroman-4-one |
667544 |
(2R)-5,7-dihydroxy-2-phenyl-chroman-4-one |
internal high similarity DBLink | Rows returned: 15 | 1 2 3 Next >> |
active | Cluster 14672 | Additional Members: 12 | Rows returned: 0 | |
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