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: |
BCK2 |
Replicates: |
2 |
Raw OD Value: r im |
0.7032±0.0313248 |
Normalized OD Score: sc h |
0.9470±0.0193817 |
Z-Score: |
-2.1962±0.542158 |
p-Value: |
0.0398774 |
Z-Factor: |
-1.16398 |
Fitness Defect: |
3.2219 |
Bioactivity Statement: |
Nonactive |
Experimental Conditions | | Library: | Spectrum | Plate Number and Position: | 7|A6 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 25.60 Celcius | Date: | 2006-03-29 YYYY-MM-DD | Plate CH Control (+): | 0.03755±0.00124 | Plate DMSO Control (-): | 0.7292749999999999±0.01192 | Plate Z-Factor: | 0.9323 |
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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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