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Compound InformationSONAR Target prediction
Name:

PRIMULETIN

Unique Identifier:SPE01501197
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C15H10O3
Molecular Weight:228.159 g/mol
X log p:  (online calculus)
Lipinksi Failures
TPSA
Hydrogen Bond Donor Count:
Hydrogen Bond Acceptors Count:
Rotatable Bond Count:
Canonical Smiles:Oc1cccc2OC(=CC(=O)c12)c1ccccc1
Class:flavone
Source:Primula spp
Reference:Helv Chim Acta 24:297 (1941)

Found: 84 nonactive | as graph: single | with analogs [1] << Back 41 42 43 44 45 46 47 48 49 50  Next >> [84]
Species: 4932
Condition: MT2481-pdr1pdr3-2nd
Replicates: 2
Raw OD Value: r im 0.6196±0.0479418
Normalized OD Score: sc h 1.0808±0.0907561
Z-Score: 3.3809±3.79849
p-Value: 0.243532
Z-Factor: -3.29042
Fitness Defect: 1.4125
Bioactivity Statement: Outlier
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:22|B7
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.30 Celcius
Date:2008-08-22 YYYY-MM-DD
Plate CH Control (+):0.040525±0.00072
Plate DMSO Control (-):0.564875±0.01146
Plate Z-Factor:0.9393
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DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 0

active | Cluster 4262 | Additional Members: 9 | Rows returned: 2
SPE01500739 0.454545454545455
SPE01500738 0.388888888888889

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