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: |
MCK1 |
Replicates: |
2 |
Raw OD Value: r im |
0.5346±0.00304056 |
Normalized OD Score: sc h |
0.9008±0.0103847 |
Z-Score: |
-4.2396±0.772593 |
p-Value: |
0.000111517 |
Z-Factor: |
-0.581347 |
Fitness Defect: |
9.1013 |
Bioactivity Statement: |
Active |
Experimental Conditions | | Library: | Spectrum | Plate Number and Position: | 7|A6 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 26.80 Celcius | Date: | 2007-11-13 YYYY-MM-DD | Plate CH Control (+): | 0.039724999999999996±0.00122 | Plate DMSO Control (-): | 0.587625±0.02241 | Plate Z-Factor: | 0.8441 |
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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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