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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 Next >> [104]
Species: 4932
Condition: NPR1
Replicates: 2
Raw OD Value: r im 0.9596±0.0129401
Normalized OD Score: sc h 0.9246±0.00492353
Z-Score: -0.9906±0.186073
p-Value: 0.326066
Z-Factor: -0.888261
Fitness Defect: 1.1207
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 (+):0.0012000000000000001±0.00137
Plate DMSO Control (-):1.00785±0.03797
Plate Z-Factor:0.8705
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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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