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Compound InformationSONAR Target prediction
Name:

MUNDULONE ACETATE

Unique Identifier:SPE01700330
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C28H28O7
Molecular Weight:448.295 g/mol
X log p:  (online calculus)
Lipinksi Failures
TPSA
Hydrogen Bond Donor Count:
Hydrogen Bond Acceptors Count:
Rotatable Bond Count:
Canonical Smiles:COc1c2C=CC(C)(C)Oc2ccc1C1=COc2cc3OC(C)(C)C(Cc3cc2C1=O)OC(C)=O
Class:isoflavone
Source:derivative

Found: 104 nonactive as graph: single | with analogs [1] << Back 101 102 103 104
Species: 4932
Condition: TOR1
Replicates: 2
Raw OD Value: r im 1.0018±0.00296985
Normalized OD Score: sc h 0.9733±0.0106965
Z-Score: 0.5143±0.292089
p-Value: 0.61465
Z-Factor: -5.64928
Fitness Defect: 0.4867
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum_ED
Plate Number and Position:21|D11
Drug Concentration:50.00 nM
OD Absorbance:595 nm
Robot Temperature:30.00 Celcius
Date:2012-09-18 YYYY-MM-DD
Plate CH Control (+):0.000525±0.00300
Plate DMSO Control (-):1.008725±0.02968
Plate Z-Factor:0.8945
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DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 0

nonactive | Cluster 2161 | Additional Members: 6 | Rows returned: 5
SPE00210201 0.572916666666667
LAT001G03 0.572916666666667
SPE00200011 0.477272727272727
SPE00210203 0
LAT001H03 0

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