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Compound InformationSONAR Target prediction
Name:

FREQUENTIN

Unique Identifier:SPE01800170
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C14H20O4
Molecular Weight:232.147 g/mol
X log p:9.547  (online calculus)
Lipinksi Failures1
TPSA34.14
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:4
Rotatable Bond Count:5
Canonical Smiles:CCCC=CC=CC1CC(O)C(O)C(=O)C1C=O
Source:ex Penicillium frequentans
Reference:Nature 167: 357 (1951); J Chem Soc 1959: 1662

Found: 492 nonactive | as graph: single | with analogs [1] << Back 481 482 483 484 485 486 487 488 489 490  Next >> [492]
Species: 4932
Condition: SMI1
Replicates: 2
Raw OD Value: r im 0.5946±0.0223446
Normalized OD Score: sc h 0.9622±0.042527
Z-Score: -0.8361±0.964545
p-Value: 0.50325
Z-Factor: -4.68674
Fitness Defect: 0.6867
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:9|D11
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.50 Celcius
Date:2005-12-20 YYYY-MM-DD
Plate CH Control (+):0.038099999999999995±0.00121
Plate DMSO Control (-):0.6272±0.02236
Plate Z-Factor:0.9070
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DBLink | Rows returned: 4
99875 6-hepta-1,3-dienyl-3,4-dihydroxy-2-oxo-cyclohexane-1-carbaldehyde
5461035 (1R,3R,4R)-6-[(1E,3E)-hepta-1,3-dienyl]-3,4-dihydroxy-2-oxo-cyclohexane-1-carbaldehyde
6036812 6-[(1E,3E)-hepta-1,3-dienyl]-3,4-dihydroxy-2-oxo-cyclohexane-1-carbaldehyde
6708655 (1R,3R,4R,6S)-6-hepta-1,3-dienyl-3,4-dihydroxy-2-oxo-cyclohexane-1-carbaldehyde

internal high similarity DBLink | Rows returned: 0

active | Cluster 220 | Additional Members: 1 | Rows returned: 0

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