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Compound InformationSONAR Target prediction
Name:

Dihydromunduletone

Unique Identifier:LAT001H03
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

Found: 1 active | as graph: single | with analogs
Species: 4932
Condition: pdr18h
Replicates: 2
Raw OD Value: r im 0.3701±0.00912168
Normalized OD Score: sc h 0.5955±0.00559943
Z-Score: -11.2929±0.69802
p-Value: 1.73367e-27
Z-Factor: -2.53855
Fitness Defect: 61.6196
Bioactivity Statement: Active
Experimental Conditions
Library:LATCA
Plate Number and Position:1|H3
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.90 Celcius
Date:2007-03-08 YYYY-MM-DD
Plate CH Control (+):0.040175±0.00183
Plate DMSO Control (-):0.629975±0.20881
Plate Z-Factor:-0.0737
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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: 1
SPE00210203 1.0000

nonactive | Cluster 2161 | Additional Members: 6 | Rows returned: 5
SPE00210201 0.572916666666667
LAT001G03 0.572916666666667
SPE01700330 0.55
SPE00200011 0.477272727272727
SPE00210203 0

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