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Compound InformationSONAR Target prediction
Name:

DIHYDROMUNDULETONE

Unique Identifier:SPE00210203
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C25H28O6
Molecular Weight:396.264 g/mol
X log p:12.387  (online calculus)
Lipinksi Failures1
TPSA44.76
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:6
Rotatable Bond Count:4
Canonical Smiles:COc1c(CC(=O)c2cc3CC(O)C(C)(C)Oc3cc2O)ccc2OC(C)(C)C=Cc21
Source:derivative of mundulone
Reference:Proc Chem Soc 1959: 150

Found: 27 active | as graph: single | with analogs [1] << Back 21 22 23 24 25 26 27 Next >> [27]
Species: 4932
Condition: SPE01501179
Replicates: 2
Raw OD Value: r im 0.2607±0.0790545
Normalized OD Score: sc h 0.4896±0.140417
Z-Score: -4.4706±0.917947
p-Value: 0.0000664786
Z-Factor: -5.45972
Fitness Defect: 9.6186
Bioactivity Statement: Outlier
Experimental Conditions
Library:SpectrumTMP
Plate Number and Position:1|D4
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:0.00 Celcius
Date:2007-01-11 YYYY-MM-DD
Plate CH Control (+):0.316925±0.00733
Plate DMSO Control (-):0.611225±1.70653
Plate Z-Factor:0.8424
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DBLink | Rows returned: 1
3492326 1-(3,7-dihydroxy-2,2-dimethyl-chroman-6-yl)-2-(5-methoxy-2,2-dimethyl-chromen-6-yl)ethanone

internal high similarity DBLink | Rows returned: 0

nonactive | Cluster 2161 | Additional Members: 6 | Rows returned: 5
SPE00210201 0.572916666666667
LAT001G03 0.572916666666667
SPE01700330 0.55
SPE00200011 0.477272727272727
LAT001H03 0

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