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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 1 2 3 4 5 6 7 8 9 10  Next >> [27]
Species: 4932
Condition: SPE00330001
Replicates: 2
Raw OD Value: r im 0.0630±0
Normalized OD Score: sc h 0.2065±0
Z-Score: -8.9782±0
p-Value: 2.75114e-19
Z-Factor: 0.556986
Fitness Defect: 42.7371
Bioactivity Statement: Toxic
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:2006-08-17 YYYY-MM-DD
Plate CH Control (+):0.0387±0.00132
Plate DMSO Control (-):0.3051±0.03481
Plate Z-Factor:0.5824
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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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